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

Systemtic Name: 4-chloranyl-6-[(3-ethoxycarbonyl-4,5-dimethyl-thiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 4-chloro-6-[(3-ethoxycarbonyl-4,5-dimethyl-2-thienyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 4-chloro-6-[[(3-ethoxycarbonyl-4,5-dimethyl-2-thiophenyl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 4-chloro-6-[(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[(3-carbethoxy-4,5-dimethyl-2-thienyl)carbamoyl]-4-chloro-cyclohex-3-ene-1-carboxylic acid Formula: C17H20ClNO5S MolecularWeight: 385.8624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClNO5S/c1-4-24-17(23)13-8(2)9(3)25-15(13)19-14(20)12-7-10(18)5-6-11(12)16(21)22/h5,11-12H,4,6-7H2,1-3H3,(H,19,20)(H,21,22)