4-chloranyl-6-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 4-chloranyl-6-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 4-chloro-6-[(3-ethoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 4-chloro-6-[[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 4-chloro-6-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[(3-carbethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]-4-chloro-cyclohex-3-ene-1-carboxylic acid Formula: C19H22ClNO5S MolecularWeight: 411.89968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3CC(=CCC3C(=O)O)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3CC(=CCC3C(=O)O)Cl

InChI

InChI=1S/C19H22ClNO5S/c1-2-26-19(25)15-12-5-3-4-6-14(12)27-17(15)21-16(22)13-9-10(20)7-8-11(13)18(23)24/h7,11,13H,2-6,8-9H2,1H3,(H,21,22)(H,23,24)