2-[[(E)-1-[4-[[4-[6-(hydroxymethyl)pyridin-3-yl]oxy-3-methyl-phenyl]amino]quinazolin-6-yl]-3-(2-methoxyethanoylamino)prop-1-en-2-yl]sulfanylmethyl]-3-oxidanylidene-butanoic acid

Systemtic Name: 2-[[(E)-1-[4-[[4-[6-(hydroxymethyl)pyridin-3-yl]oxy-3-methyl-phenyl]amino]quinazolin-6-yl]-3-(2-methoxyethanoylamino)prop-1-en-2-yl]sulfanylmethyl]-3-oxidanylidene-butanoic acid Openeye Name: 2-[[(E)-2-[4-[4-[[6-(hydroxymethyl)-3-pyridyl]oxy]-3-methyl-anilino]quinazolin-6-yl]-1-[[(2-methoxyacetyl)amino]methyl]vinyl]sulfanylmethyl]-3-oxo-butanoic acid CAS Name: 2-[[[(E)-1-[4-[4-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-3-methylanilino]-6-quinazolinyl]-3-[(2-methoxy-1-oxoethyl)amino]prop-1-en-2-yl]thio]methyl]-3-oxobutanoic acid IUPAC Name: 2-[[(E)-1-[4-[4-[6-(hydroxymethyl)pyridin-3-yl]oxy-3-methylanilino]quinazolin-6-yl]-3-[(2-methoxyacetyl)amino]prop-1-en-2-yl]sulfanylmethyl]-3-oxobutanoic acid Traditional Name: 3-keto-2-[[[(E)-1-[[(2-methoxyacetyl)amino]methyl]-2-[4-[3-methyl-4-[(6-methylol-3-pyridyl)oxy]anilino]quinazolin-6-yl]vinyl]thio]methyl]butyric acid Formula: C32H33N5O7S MolecularWeight: 631.69872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C=C(CNC(=O)COC)SCC(C(=O)C)C(=O)O)OC4=CN=C(C=C4)CO

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)/C=C(\CNC(=O)COC)/SCC(C(=O)C)C(=O)O)OC4=CN=C(C=C4)CO

InChI

InChI=1S/C32H33N5O7S/c1-19-10-22(6-9-29(19)44-24-7-5-23(15-38)33-13-24)37-31-26-12-21(4-8-28(26)35-18-36-31)11-25(14-34-30(40)16-43-3)45-17-27(20(2)39)32(41)42/h4-13,18,27,38H,14-17H2,1-3H3,(H,34,40)(H,41,42)(H,35,36,37)/b25-11+