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

Systemtic Name: methyl 2-[2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanylpropanoylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[2-(3-methyl-4-oxo-quinazolin-2-yl)sulfanylpropanoylamino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(3-methyl-4-oxo-2-quinazolinyl)thio]-1-oxopropyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanoylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-[(4-keto-3-methyl-quinazolin-2-yl)thio]propanoylamino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C28H27N3O4S2 MolecularWeight: 533.66168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C2=C(S1)CC(CC2)C3=CC=CC=C3)C(=O)OC)SC4=NC5=CC=CC=C5C(=O)N4C

Isomeric SMILES

CC(C(=O)NC1=C(C2=C(S1)CC(CC2)C3=CC=CC=C3)C(=O)OC)SC4=NC5=CC=CC=C5C(=O)N4C

InChI

InChI=1S/C28H27N3O4S2/c1-16(36-28-29-21-12-8-7-11-19(21)26(33)31(28)2)24(32)30-25-23(27(34)35-3)20-14-13-18(15-22(20)37-25)17-9-5-4-6-10-17/h4-12,16,18H,13-15H2,1-3H3,(H,30,32)