(1S,6R)-6-[(4-ethyl-3-methoxycarbonyl-5-methyl-thiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1S,6R)-6-[(4-ethyl-3-methoxycarbonyl-5-methyl-thiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6R)-6-[(4-ethyl-3-methoxycarbonyl-5-methyl-2-thienyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6R)-6-[[(4-ethyl-3-methoxycarbonyl-5-methyl-2-thiophenyl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6R)-6-[(4-ethyl-3-methoxycarbonyl-5-methylthiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6R)-6-[(3-carbomethoxy-4-ethyl-5-methyl-2-thienyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C17H21NO5S MolecularWeight: 351.41734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=O)C2CC=CCC2C(=O)O)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)C

InChI

InChI=1S/C17H21NO5S/c1-4-10-9(2)24-15(13(10)17(22)23-3)18-14(19)11-7-5-6-8-12(11)16(20)21/h5-6,11-12H,4,7-8H2,1-3H3,(H,18,19)(H,20,21)/t11-,12+/m1/s1