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

Systemtic Name: (1R,6S)-6-[[3-ethoxycarbonyl-4-(4-methoxyphenyl)thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6S)-6-[[3-ethoxycarbonyl-4-(4-methoxyphenyl)-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-6-[[[3-ethoxycarbonyl-4-(4-methoxyphenyl)-2-thiophenyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6S)-6-[[3-ethoxycarbonyl-4-(4-methoxyphenyl)thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-6-[[3-carbethoxy-4-(4-methoxyphenyl)-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C22H22NO6S- MolecularWeight: 428.47818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO6S/c1-3-29-22(27)18-17(13-8-10-14(28-2)11-9-13)12-30-20(18)23-19(24)15-6-4-5-7-16(15)21(25)26/h4-5,8-12,15-16H,3,6-7H2,1-2H3,(H,23,24)(H,25,26)/p-1/t15-,16+/m0/s1