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

Systemtic Name: methyl 2-[2-(6-methyl-4-oxidanylidene-quinazolin-3-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(6-methyl-4-oxo-quinazolin-3-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(6-methyl-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-methyl-4-oxoquinazolin-3-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(4-keto-6-methyl-quinazolin-3-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=CN(C2=O)CC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=CN(C2=O)CC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC

InChI

InChI=1S/C21H21N3O4S/c1-12-7-8-15-14(9-12)20(26)24(11-22-15)10-17(25)23-19-18(21(27)28-2)13-5-3-4-6-16(13)29-19/h7-9,11H,3-6,10H2,1-2H3,(H,23,25)