propyl (6S)-2-(2-cyanoethanoylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: propyl (6S)-2-(2-cyanoethanoylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: propyl (6S)-2-[(2-cyanoacetyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-2-[(2-cyano-1-oxoethyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propyl ester IUPAC Name: propyl (6S)-2-[(2-cyanoacetyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-2-[(2-cyanoacetyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid propyl ester Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O3S/c1-3-8-21-16(20)14-11-5-4-10(2)9-12(11)22-15(14)18-13(19)6-7-17/h10H,3-6,8-9H2,1-2H3,(H,18,19)/t10-/m0/s1