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

Systemtic Name: (1S,6S)-6-[[3-ethoxycarbonyl-4-(3-methylphenyl)thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-6-[[3-ethoxycarbonyl-4-(m-tolyl)-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-[[[3-ethoxycarbonyl-4-(3-methylphenyl)-2-thiophenyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-6-[[3-ethoxycarbonyl-4-(3-methylphenyl)thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-[[3-carbethoxy-4-(m-tolyl)-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(14-8-6-7-13(2)11-14)12-29-20(18)23-19(24)15-9-4-5-10-16(15)21(25)26/h4-8,11-12,15-16H,3,9-10H2,1-2H3,(H,23,24)(H,25,26)/p-1/t15-,16-/m0/s1