ethyl 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanylmethyl]quinoline-3-carboxylate

Systemtic Name: ethyl 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanylmethyl]quinoline-3-carboxylate Openeye Name: ethyl 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[(4-oxo-1H-quinazolin-2-yl)sulfanylmethyl]quinoline-3-carboxylate CAS Name: 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[[(4-oxo-1H-quinazolin-2-yl)thio]methyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[(4-oxo-1H-quinazolin-2-yl)sulfanylmethyl]quinoline-3-carboxylate Traditional Name: 4-(3,4-dimethoxyphenyl)-2-[[(4-keto-1H-quinazolin-2-yl)thio]methyl]-6,7-dimethoxy-quinoline-3-carboxylic acid ethyl ester Formula: C31H29N3O7S MolecularWeight: 587.64286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=C(C=C2N=C1CSC3=NC(=O)C4=CC=CC=C4N3)OC)OC)C5=CC(=C(C=C5)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=C(C=C2N=C1CSC3=NC(=O)C4=CC=CC=C4N3)OC)OC)C5=CC(=C(C=C5)OC)OC

InChI

InChI=1S/C31H29N3O7S/c1-6-41-30(36)28-22(16-42-31-33-20-10-8-7-9-18(20)29(35)34-31)32-21-15-26(40-5)25(39-4)14-19(21)27(28)17-11-12-23(37-2)24(13-17)38-3/h7-15H,6,16H2,1-5H3,(H,33,34,35)