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

Systemtic Name: propyl 2-[bis(2-phenylethanoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C29H31NO4S MolecularWeight: 489.62574

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC2=C1CCC(C2)C)N(C(=O)CC3=CC=CC=C3)C(=O)CC4=CC=CC=C4

Isomeric SMILES

CCCOC(=O)C1=C(SC2=C1CCC(C2)C)N(C(=O)CC3=CC=CC=C3)C(=O)CC4=CC=CC=C4

InChI

InChI=1S/C29H31NO4S/c1-3-16-34-29(33)27-23-15-14-20(2)17-24(23)35-28(27)30(25(31)18-21-10-6-4-7-11-21)26(32)19-22-12-8-5-9-13-22/h4-13,20H,3,14-19H2,1-2H3