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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2CC=CCC2C(=O)[O-])C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])C(=O)OC

InChI

InChI=1S/C16H19NO5S/c1-3-9-8-12(16(21)22-2)14(23-9)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