S-(1,3-benzothiazol-2-yl) (2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanethioate; ethanoic acid

Systemtic Name: S-(1,3-benzothiazol-2-yl) (2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanethioate; ethanoic acid Openeye Name: acetic acid; S-(1,3-benzothiazol-2-yl) (2Z)-2-(2-aminothiazol-4-yl)-2-methoxyimino-ethanethioate CAS Name: acetic acid; (2Z)-2-(2-amino-4-thiazolyl)-2-methoxyiminoethanethioic acid S-(1,3-benzothiazol-2-yl) ester IUPAC Name: acetic acid; S-(1,3-benzothiazol-2-yl) (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoethanethioate Traditional Name: acetic acid; (2Z)-2-(2-aminothiazol-4-yl)-2-methyloximino-ethanethioic acid S-(1,3-benzothiazol-2-yl) ester Formula: C15H14N4O4S3 MolecularWeight: 410.49106

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CON=C(C1=CSC(=N1)N)C(=O)SC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(=O)O.CO/N=C(/C1=CSC(=N1)N)\C(=O)SC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C13H10N4O2S3.C2H4O2/c1-19-17-10(8-6-20-12(14)15-8)11(18)22-13-16-7-4-2-3-5-9(7)21-13;1-2(3)4/h2-6H,1H3,(H2,14,15);1H3,(H,3,4)/b17-10-;