methyl 2-[2-(1-cyclopropyl-5,7-dimethyl-4-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 2-[2-(1-cyclopropyl-5,7-dimethyl-4-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-(1-cyclopropyl-5,7-dimethyl-4-oxo-pyrido[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[(1-cyclopropyl-5,7-dimethyl-4-oxo-2-pyrido[2,3-d]pyrimidinyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(1-cyclopropyl-5,7-dimethyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(1-cyclopropyl-4-keto-5,7-dimethyl-pyrido[2,3-d]pyrimidin-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=O)N=C(N2C3CC3)SCC(=O)NC4=CC=CC=C4C(=O)OC)C

Isomeric SMILES

CC1=CC(=NC2=C1C(=O)N=C(N2C3CC3)SCC(=O)NC4=CC=CC=C4C(=O)OC)C

InChI

InChI=1S/C22H22N4O4S/c1-12-10-13(2)23-19-18(12)20(28)25-22(26(19)14-8-9-14)31-11-17(27)24-16-7-5-4-6-15(16)21(29)30-3/h4-7,10,14H,8-9,11H2,1-3H3,(H,24,27)