methyl 3-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(4-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 3-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(4-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-(1,3-benzodioxol-5-ylmethyl)-2-[2-(4-ethoxycarbonylanilino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(4-ethoxycarbonylanilino)-2-oxoethyl]thio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(1,3-benzodioxol-5-ylmethyl)-2-[2-(4-ethoxycarbonylanilino)-2-oxoethyl]sulfanyl-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[[2-(4-carbethoxyanilino)-2-keto-ethyl]thio]-4-keto-3-piperonyl-quinazoline-7-carboxylic acid methyl ester Formula: C29H25N3O8S MolecularWeight: 575.5891

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C29H25N3O8S/c1-3-38-28(36)18-5-8-20(9-6-18)30-25(33)15-41-29-31-22-13-19(27(35)37-2)7-10-21(22)26(34)32(29)14-17-4-11-23-24(12-17)40-16-39-23/h4-13H,3,14-16H2,1-2H3,(H,30,33)