[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-[5-(acetamidomethyl)-2-thienyl]-2-oxo-ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [2-[5-(acetamidomethyl)-2-thiophenyl]-2-oxoethyl] ester IUPAC Name: [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-[5-(acetamidomethyl)-2-thienyl]-2-keto-ethyl] ester Formula: C17H14N2O4S2 MolecularWeight: 374.43406

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(S1)C(=O)COC(=O)C2=CC3=C(C=C2)N=CS3

Isomeric SMILES

CC(=O)NCC1=CC=C(S1)C(=O)COC(=O)C2=CC3=C(C=C2)N=CS3

InChI

InChI=1S/C17H14N2O4S2/c1-10(20)18-7-12-3-5-15(25-12)14(21)8-23-17(22)11-2-4-13-16(6-11)24-9-19-13/h2-6,9H,7-8H2,1H3,(H,18,20)