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

Systemtic Name: [2-[(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-bromanylbenzoate Openeye Name: [2-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl] 2-bromobenzoate CAS Name: 2-bromobenzoic 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] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [2-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C18H17BrN2O4S MolecularWeight: 437.30758

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)COC(=O)C3=CC=CC=C3Br)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)COC(=O)C3=CC=CC=C3Br)C(=O)N

InChI

InChI=1S/C18H17BrN2O4S/c19-12-7-3-1-5-10(12)18(24)25-9-14(22)21-17-15(16(20)23)11-6-2-4-8-13(11)26-17/h1,3,5,7H,2,4,6,8-9H2,(H2,20,23)(H,21,22)