1,3-benzothiazol-2-ylmethyl 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylbenzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylbenzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-(2-amino-2-oxo-ethyl)sulfanylbenzoate CAS Name: 2-[(2-amino-2-oxoethyl)thio]benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-(2-amino-2-oxoethyl)sulfanylbenzoate Traditional Name: 2-[(2-amino-2-keto-ethyl)thio]benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C17H14N2O3S2 MolecularWeight: 358.43466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC2=NC3=CC=CC=C3S2)SCC(=O)N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC2=NC3=CC=CC=C3S2)SCC(=O)N

InChI

InChI=1S/C17H14N2O3S2/c18-15(20)10-23-13-7-3-1-5-11(13)17(21)22-9-16-19-12-6-2-4-8-14(12)24-16/h1-8H,9-10H2,(H2,18,20)