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

Systemtic Name: ethyl 2-[(4-chloranyl-1,3-benzothiazol-2-yl)amino]-3-oxidanylidene-butanoate Openeye Name: ethyl 2-[(4-chloro-1,3-benzothiazol-2-yl)amino]-3-oxo-butanoate CAS Name: 2-[(4-chloro-1,3-benzothiazol-2-yl)amino]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-[(4-chloro-1,3-benzothiazol-2-yl)amino]-3-oxobutanoate Traditional Name: 2-[(4-chloro-1,3-benzothiazol-2-yl)amino]-3-keto-butyric acid ethyl ester Formula: C13H13ClN2O3S MolecularWeight: 312.77192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)C)NC1=NC2=C(S1)C=CC=C2Cl

Isomeric SMILES

CCOC(=O)C(C(=O)C)NC1=NC2=C(S1)C=CC=C2Cl

InChI

InChI=1S/C13H13ClN2O3S/c1-3-19-12(18)10(7(2)17)15-13-16-11-8(14)5-4-6-9(11)20-13/h4-6,10H,3H2,1-2H3,(H,15,16)