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

Systemtic Name: methyl 2-[3-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanylpropanoylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[3-(3-methyl-4-oxo-quinazolin-2-yl)sulfanylpropanoylamino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-[(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-[3-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanoylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-[(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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2N=C1SCCC(=O)NC3=C(C4=C(S3)CC(CC4)C5=CC=CC=C5)C(=O)OC

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2N=C1SCCC(=O)NC3=C(C4=C(S3)CC(CC4)C5=CC=CC=C5)C(=O)OC

InChI

InChI=1S/C28H27N3O4S2/c1-31-26(33)19-10-6-7-11-21(19)29-28(31)36-15-14-23(32)30-25-24(27(34)35-2)20-13-12-18(16-22(20)37-25)17-8-4-3-5-9-17/h3-11,18H,12-16H2,1-2H3,(H,30,32)