methyl 2-[4-chloranyl-2-(2,4-dimethylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[4-chloranyl-2-(2,4-dimethylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[4-chloro-2-(2,4-dimethylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[4-chloro-2-[(2,4-dimethylphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4-chloro-2-(2,4-dimethylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[4-chloro-2-(2,4-dimethylbenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C19H17ClN2O3S MolecularWeight: 388.86788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)N=C2N(C3=C(S2)C=CC=C3Cl)CC(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)N=C2N(C3=C(S2)C=CC=C3Cl)CC(=O)OC)C

InChI

InChI=1S/C19H17ClN2O3S/c1-11-7-8-13(12(2)9-11)18(24)21-19-22(10-16(23)25-3)17-14(20)5-4-6-15(17)26-19/h4-9H,10H2,1-3H3