methyl 2-[2-(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(6-chloro-4-oxo-quinazolin-3-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(6-chloro-4-oxo-3-quinazolinyl)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(6-chloro-4-oxoquinazolin-3-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(6-chloro-4-keto-quinazolin-3-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C20H18ClN3O4S MolecularWeight: 431.89262

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C=NC4=C(C3=O)C=C(C=C4)Cl

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C=NC4=C(C3=O)C=C(C=C4)Cl

InChI

InChI=1S/C20H18ClN3O4S/c1-28-20(27)17-12-4-2-3-5-15(12)29-18(17)23-16(25)9-24-10-22-14-7-6-11(21)8-13(14)19(24)26/h6-8,10H,2-5,9H2,1H3,(H,23,25)