propyl (6S)-6-methyl-2-[[(2R)-2-phenylbutanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: propyl (6S)-6-methyl-2-[[(2R)-2-phenylbutanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: propyl (6S)-6-methyl-2-[[(2R)-2-phenylbutanoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-6-methyl-2-[[(2R)-1-oxo-2-phenylbutyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propyl ester IUPAC Name: propyl (6S)-6-methyl-2-[[(2R)-2-phenylbutanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-6-methyl-2-[[(2R)-2-phenylbutanoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid propyl ester Formula: C23H29NO3S MolecularWeight: 399.54626

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(CC)C3=CC=CC=C3

Isomeric SMILES

CCCOC(=O)C1=C(SC2=C1CC[C@@H](C2)C)NC(=O)[C@H](CC)C3=CC=CC=C3

InChI

InChI=1S/C23H29NO3S/c1-4-13-27-23(26)20-18-12-11-15(3)14-19(18)28-22(20)24-21(25)17(5-2)16-9-7-6-8-10-16/h6-10,15,17H,4-5,11-14H2,1-3H3,(H,24,25)/t15-,17+/m0/s1