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

Systemtic Name: (1S,6R)-6-[[4-(4-butylphenyl)-3-ethoxycarbonyl-thiophen-2-yl]carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6R)-6-[[4-(4-butylphenyl)-3-ethoxycarbonyl-2-thienyl]carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-6-[[[4-(4-butylphenyl)-3-ethoxycarbonyl-2-thiophenyl]amino]-oxomethyl]-3,4-dimethyl-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6R)-6-[[4-(4-butylphenyl)-3-ethoxycarbonylthiophen-2-yl]carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-6-[[4-(4-butylphenyl)-3-carbethoxy-2-thienyl]carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate Formula: C27H32NO5S- MolecularWeight: 482.61168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)C3CC(=C(CC3C(=O)[O-])C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)[C@@H]3CC(=C(C[C@@H]3C(=O)[O-])C)C

InChI

InChI=1S/C27H33NO5S/c1-5-7-8-18-9-11-19(12-10-18)22-15-34-25(23(22)27(32)33-6-2)28-24(29)20-13-16(3)17(4)14-21(20)26(30)31/h9-12,15,20-21H,5-8,13-14H2,1-4H3,(H,28,29)(H,30,31)/p-1/t20-,21+/m1/s1