ethyl 4-[2-[6-morpholin-4-yl-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[6-morpholin-4-yl-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(3-benzyl-6-morpholino-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[6-(4-morpholinyl)-4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(3-benzyl-6-morpholin-4-yl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(3-benzyl-4-keto-6-morpholino-quinazolin-2-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C30H30N4O5S MolecularWeight: 558.648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C=C(C=C3)N4CCOCC4)C(=O)N2CC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C=C(C=C3)N4CCOCC4)C(=O)N2CC5=CC=CC=C5

InChI

InChI=1S/C30H30N4O5S/c1-2-39-29(37)22-8-10-23(11-9-22)31-27(35)20-40-30-32-26-13-12-24(33-14-16-38-17-15-33)18-25(26)28(36)34(30)19-21-6-4-3-5-7-21/h3-13,18H,2,14-17,19-20H2,1H3,(H,31,35)