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

Systemtic Name: (1R,6S)-6-[(3-ethoxycarbonyl-5-methyl-4-phenyl-thiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6S)-6-[(3-ethoxycarbonyl-5-methyl-4-phenyl-2-thienyl)carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-6-[[(3-ethoxycarbonyl-5-methyl-4-phenyl-2-thiophenyl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6S)-6-[(3-ethoxycarbonyl-5-methyl-4-phenylthiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-6-[(3-carbethoxy-5-methyl-4-phenyl-2-thienyl)carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C22H22NO5S- MolecularWeight: 412.47878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)C3CC=CCC3C(=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-]

InChI

InChI=1S/C22H23NO5S/c1-3-28-22(27)18-17(14-9-5-4-6-10-14)13(2)29-20(18)23-19(24)15-11-7-8-12-16(15)21(25)26/h4-10,15-16H,3,11-12H2,1-2H3,(H,23,24)(H,25,26)/p-1/t15-,16+/m0/s1