methyl 2-[bis(2-phenylethanoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[bis(2-phenylethanoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[bis(2-phenylacetyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[bis(1-oxo-2-phenylethyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[bis(2-phenylacetyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[bis(2-phenylacetyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C27H27NO4S MolecularWeight: 461.57258

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)N(C(=O)CC3=CC=CC=C3)C(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)N(C(=O)CC3=CC=CC=C3)C(=O)CC4=CC=CC=C4

InChI

InChI=1S/C27H27NO4S/c1-18-13-14-21-22(15-18)33-26(25(21)27(31)32-2)28(23(29)16-19-9-5-3-6-10-19)24(30)17-20-11-7-4-8-12-20/h3-12,18H,13-17H2,1-2H3