[2-[(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-4-oxidanyl-benzoate

Systemtic Name: [2-[(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-4-oxidanyl-benzoate Openeye Name: [2-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl] 3-chloro-4-hydroxy-benzoate CAS Name: 3-chloro-4-hydroxybenzoic acid [2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 3-chloro-4-hydroxybenzoate Traditional Name: 3-chloro-4-hydroxy-benzoic acid [2-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C18H17ClN2O5S MolecularWeight: 408.85598

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)COC(=O)C3=CC(=C(C=C3)O)Cl)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)COC(=O)C3=CC(=C(C=C3)O)Cl)C(=O)N

InChI

InChI=1S/C18H17ClN2O5S/c19-11-7-9(5-6-12(11)22)18(25)26-8-14(23)21-17-15(16(20)24)10-3-1-2-4-13(10)27-17/h5-7,22H,1-4,8H2,(H2,20,24)(H,21,23)