[2-[(2,3-dimethylcyclohexyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-6-methoxy-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(2,3-dimethylcyclohexyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-6-methoxy-1-benzothiophene-2-carboxylate Openeye Name: [2-[(2,3-dimethylcyclohexyl)amino]-2-oxo-ethyl] 3-chloro-6-methoxy-benzothiophene-2-carboxylate CAS Name: 3-chloro-6-methoxy-1-benzothiophene-2-carboxylic acid [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 3-chloro-6-methoxy-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-methoxy-benzothiophene-2-carboxylic acid [2-[(2,3-dimethylcyclohexyl)amino]-2-keto-ethyl] ester Formula: C20H24ClNO4S MolecularWeight: 409.92686

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)COC(=O)C2=C(C3=C(S2)C=C(C=C3)OC)Cl

Isomeric SMILES

CC1CCCC(C1C)NC(=O)COC(=O)C2=C(C3=C(S2)C=C(C=C3)OC)Cl

InChI

InChI=1S/C20H24ClNO4S/c1-11-5-4-6-15(12(11)2)22-17(23)10-26-20(24)19-18(21)14-8-7-13(25-3)9-16(14)27-19/h7-9,11-12,15H,4-6,10H2,1-3H3,(H,22,23)