methyl 2-[5-chloranyl-2-(4-cyanophenyl)carbonylimino-4-methyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[5-chloranyl-2-(4-cyanophenyl)carbonylimino-4-methyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[5-chloro-2-(4-cyanobenzoyl)imino-4-methyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[5-chloro-2-[(4-cyanophenyl)-oxomethyl]imino-4-methyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[5-chloro-2-(4-cyanobenzoyl)imino-4-methyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[5-chloro-2-(4-cyanobenzoyl)imino-4-methyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C19H14ClN3O3S MolecularWeight: 399.85076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N(C(=NC(=O)C3=CC=C(C=C3)C#N)S2)CC(=O)OC)Cl

Isomeric SMILES

CC1=C(C=CC2=C1N(C(=NC(=O)C3=CC=C(C=C3)C#N)S2)CC(=O)OC)Cl

InChI

InChI=1S/C19H14ClN3O3S/c1-11-14(20)7-8-15-17(11)23(10-16(24)26-2)19(27-15)22-18(25)13-5-3-12(9-21)4-6-13/h3-8H,10H2,1-2H3