(1R,6S)-6-[(3-cyano-5-methyl-4-phenyl-thiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,6S)-6-[(3-cyano-5-methyl-4-phenyl-thiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6S)-6-[(3-cyano-5-methyl-4-phenyl-2-thienyl)carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-6-[[(3-cyano-5-methyl-4-phenyl-2-thiophenyl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6S)-6-[(3-cyano-5-methyl-4-phenylthiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-6-[(3-cyano-5-methyl-4-phenyl-2-thienyl)carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C20H17N2O3S- MolecularWeight: 365.42558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)C2CC=CCC2C(=O)[O-])C#N)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])C#N)C3=CC=CC=C3

InChI

InChI=1S/C20H18N2O3S/c1-12-17(13-7-3-2-4-8-13)16(11-21)19(26-12)22-18(23)14-9-5-6-10-15(14)20(24)25/h2-8,14-15H,9-10H2,1H3,(H,22,23)(H,24,25)/p-1/t14-,15+/m0/s1