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

Systemtic Name: methyl 2-[2-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylpropanoylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[2-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanylpropanoylamino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(3-ethyl-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-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanoylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-[(3-ethyl-4-keto-quinazolin-2-yl)thio]propanoylamino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C29H29N3O4S2 MolecularWeight: 547.68826

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=C(C4=C(S3)CC(CC4)C5=CC=CC=C5)C(=O)OC

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=C(C4=C(S3)CC(CC4)C5=CC=CC=C5)C(=O)OC

InChI

InChI=1S/C29H29N3O4S2/c1-4-32-27(34)20-12-8-9-13-22(20)30-29(32)37-17(2)25(33)31-26-24(28(35)36-3)21-15-14-19(16-23(21)38-26)18-10-6-5-7-11-18/h5-13,17,19H,4,14-16H2,1-3H3,(H,31,33)