propan-2-yl (1S,6S)-6-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: propan-2-yl (1S,6S)-6-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: isopropyl (1S,6S)-6-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (1S,6S)-6-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid isopropyl ester Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1CC=CCC1C(=O)NC2=C(C3=C(S2)CCCC3)C#N

Isomeric SMILES

CC(C)OC(=O)[C@H]1CC=CC[C@@H]1C(=O)NC2=C(C3=C(S2)CCCC3)C#N

InChI

InChI=1S/C20H24N2O3S/c1-12(2)25-20(24)15-9-4-3-8-14(15)18(23)22-19-16(11-21)13-7-5-6-10-17(13)26-19/h3-4,12,14-15H,5-10H2,1-2H3,(H,22,23)/t14-,15-/m0/s1