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

Systemtic Name: 2-[(3-ethoxycarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 2-[(3-ethoxycarbonyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]cyclohexanecarboxylic acid CAS Name: 2-[[(3-ethoxycarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[(3-ethoxycarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 2-[(3-carbethoxy-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]cyclohexanecarboxylic acid Formula: C21H29NO5S MolecularWeight: 407.52366

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3CCCCC3C(=O)O

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3CCCCC3C(=O)O

InChI

InChI=1S/C21H29NO5S/c1-3-12-9-10-15-16(11-12)28-19(17(15)21(26)27-4-2)22-18(23)13-7-5-6-8-14(13)20(24)25/h12-14H,3-11H2,1-2H3,(H,22,23)(H,24,25)