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

Systemtic Name: ethyl 2-[3-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylpropanoylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[3-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanylpropanoylamino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-[(3-ethyl-4-oxo-2-quinazolinyl)thio]-1-oxopropyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanoylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-[(3-ethyl-4-keto-quinazolin-2-yl)thio]propanoylamino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C30H31N3O4S2 MolecularWeight: 561.71484

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2N=C1SCCC(=O)NC3=C(C4=C(S3)CC(CC4)C5=CC=CC=C5)C(=O)OCC

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N=C1SCCC(=O)NC3=C(C4=C(S3)CC(CC4)C5=CC=CC=C5)C(=O)OCC

InChI

InChI=1S/C30H31N3O4S2/c1-3-33-28(35)21-12-8-9-13-23(21)31-30(33)38-17-16-25(34)32-27-26(29(36)37-4-2)22-15-14-20(18-24(22)39-27)19-10-6-5-7-11-19/h5-13,20H,3-4,14-18H2,1-2H3,(H,32,34)