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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2CC=CCC2C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)[C@H]2CC=CC[C@H]2C(=O)O

InChI

InChI=1S/C17H21NO5S/c1-4-23-17(22)13-9(2)10(3)24-15(13)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+/m0/s1