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

Systemtic Name: methyl 3-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-(1,3-benzodioxol-5-ylmethyl)-2-[2-(4-ethoxyanilino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(4-ethoxyanilino)-2-oxoethyl]thio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(1,3-benzodioxol-5-ylmethyl)-2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-oxoquinazoline-7-carboxylate Traditional Name: 4-keto-2-[[2-keto-2-(p-phenetidino)ethyl]thio]-3-piperonyl-quinazoline-7-carboxylic acid methyl ester Formula: C28H25N3O7S MolecularWeight: 547.579

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=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

CCOC1=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/C28H25N3O7S/c1-3-36-20-8-6-19(7-9-20)29-25(32)15-39-28-30-22-13-18(27(34)35-2)5-10-21(22)26(33)31(28)14-17-4-11-23-24(12-17)38-16-37-23/h4-13H,3,14-16H2,1-2H3,(H,29,32)