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

Systemtic Name: methyl 4-[(4-methyl-1,3-benzothiazol-2-yl)amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[(4-methyl-1,3-benzothiazol-2-yl)amino]-4-oxo-butanoate CAS Name: 4-[(4-methyl-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[(4-methyl-1,3-benzothiazol-2-yl)amino]-4-oxobutanoate Traditional Name: 4-keto-4-[(4-methyl-1,3-benzothiazol-2-yl)amino]butyric acid methyl ester Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)CCC(=O)OC

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)CCC(=O)OC

InChI

InChI=1S/C13H14N2O3S/c1-8-4-3-5-9-12(8)15-13(19-9)14-10(16)6-7-11(17)18-2/h3-5H,6-7H2,1-2H3,(H,14,15,16)