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

Systemtic Name: (1R,6S)-6-[[4-(4-chlorophenyl)-3-ethoxycarbonyl-5-methyl-thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6S)-6-[[4-(4-chlorophenyl)-3-ethoxycarbonyl-5-methyl-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-6-[[[4-(4-chlorophenyl)-3-ethoxycarbonyl-5-methyl-2-thiophenyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6S)-6-[[4-(4-chlorophenyl)-3-ethoxycarbonyl-5-methylthiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-6-[[3-carbethoxy-4-(4-chlorophenyl)-5-methyl-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C22H21ClNO5S- MolecularWeight: 446.92384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClNO5S/c1-3-29-22(28)18-17(13-8-10-14(23)11-9-13)12(2)30-20(18)24-19(25)15-6-4-5-7-16(15)21(26)27/h4-5,8-11,15-16H,3,6-7H2,1-2H3,(H,24,25)(H,26,27)/p-1/t15-,16+/m0/s1