4-[(5-methyl-1,3-benzothiazol-2-yl)amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(5-methyl-1,3-benzothiazol-2-yl)amino]-4-oxidanylidene-butanoate Openeye Name: 4-[(5-methyl-1,3-benzothiazol-2-yl)amino]-4-oxo-butanoate CAS Name: 4-[(5-methyl-1,3-benzothiazol-2-yl)amino]-4-oxobutanoate IUPAC Name: 4-[(5-methyl-1,3-benzothiazol-2-yl)amino]-4-oxobutanoate Traditional Name: 4-keto-4-[(5-methyl-1,3-benzothiazol-2-yl)amino]butyrate Formula: C12H11N2O3S- MolecularWeight: 263.29234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=N2)NC(=O)CCC(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)SC(=N2)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C12H12N2O3S/c1-7-2-3-9-8(6-7)13-12(18-9)14-10(15)4-5-11(16)17/h2-3,6H,4-5H2,1H3,(H,16,17)(H,13,14,15)/p-1