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

Systemtic Name: methyl 3-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-(1,3-benzodioxol-5-ylmethyl)-2-[2-(2-methoxyanilino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(2-methoxyanilino)-2-oxoethyl]thio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(1,3-benzodioxol-5-ylmethyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4-oxoquinazoline-7-carboxylate Traditional Name: 4-keto-2-[[2-keto-2-(o-anisidino)ethyl]thio]-3-piperonyl-quinazoline-7-carboxylic acid methyl ester Formula: C27H23N3O7S MolecularWeight: 533.55242

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=CC=C1NC(=O)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H23N3O7S/c1-34-21-6-4-3-5-19(21)28-24(31)14-38-27-29-20-12-17(26(33)35-2)8-9-18(20)25(32)30(27)13-16-7-10-22-23(11-16)37-15-36-22/h3-12H,13-15H2,1-2H3,(H,28,31)