2-(1,3-benzothiazol-2-ylsulfanyl)ethyl (2E)-2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyimino-ethanoate

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)ethyl (2E)-2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyimino-ethanoate Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)ethyl (2E)-2-(2-formamidothiazol-4-yl)-2-methoxyimino-acetate CAS Name: (2E)-2-(2-formamido-4-thiazolyl)-2-methoxyiminoacetic acid 2-(1,3-benzothiazol-2-ylthio)ethyl ester IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)ethyl (2E)-2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetate Traditional Name: (2E)-2-(2-formamidothiazol-4-yl)-2-methyloximino-acetic acid 2-(1,3-benzothiazol-2-ylthio)ethyl ester Formula: C16H14N4O4S3 MolecularWeight: 422.50176

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Descriptors Computed from Structure

Canonical SMILES:

CON=C(C1=CSC(=N1)NC=O)C(=O)OCCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CO/N=C(\C1=CSC(=N1)NC=O)/C(=O)OCCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H14N4O4S3/c1-23-20-13(11-8-26-15(18-11)17-9-21)14(22)24-6-7-25-16-19-10-4-2-3-5-12(10)27-16/h2-5,8-9H,6-7H2,1H3,(H,17,18,21)/b20-13+