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

Systemtic Name: (1S,6R)-6-[(3-ethoxycarbonyl-5-methyl-thiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6R)-6-[(3-ethoxycarbonyl-5-methyl-2-thienyl)carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-6-[[(3-ethoxycarbonyl-5-methyl-2-thiophenyl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6R)-6-[(3-ethoxycarbonyl-5-methylthiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-6-[(3-carbethoxy-5-methyl-2-thienyl)carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C16H18NO5S- MolecularWeight: 336.38282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C)NC(=O)C2CC=CCC2C(=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C)NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-]

InChI

InChI=1S/C16H19NO5S/c1-3-22-16(21)12-8-9(2)23-14(12)17-13(18)10-6-4-5-7-11(10)15(19)20/h4-5,8,10-11H,3,6-7H2,1-2H3,(H,17,18)(H,19,20)/p-1/t10-,11+/m1/s1