(1S,6S)-6-[[(S)-(4-ethylphenyl)-thiophen-2-yl-methyl]carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6S)-6-[[(S)-(4-ethylphenyl)-thiophen-2-yl-methyl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-6-[[(S)-(4-ethylphenyl)-(2-thienyl)methyl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-[[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-6-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-[[(S)-(4-ethylphenyl)-(2-thienyl)methyl]carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C21H22NO3S- MolecularWeight: 368.46928

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)C3CC=CCC3C(=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)[C@@H](C2=CC=CS2)NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-]

InChI

InChI=1S/C21H23NO3S/c1-2-14-9-11-15(12-10-14)19(18-8-5-13-26-18)22-20(23)16-6-3-4-7-17(16)21(24)25/h3-5,8-13,16-17,19H,2,6-7H2,1H3,(H,22,23)(H,24,25)/p-1/t16-,17-,19-/m0/s1