methyl 2-[(2Z)-2-(5-chloranylthiophen-2-yl)sulfonylimino-5,7-dimethyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[(2Z)-2-(5-chloranylthiophen-2-yl)sulfonylimino-5,7-dimethyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[(2Z)-2-[(5-chloro-2-thienyl)sulfonylimino]-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[(2Z)-2-[(5-chloro-2-thiophenyl)sulfonylimino]-5,7-dimethyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(2Z)-2-(5-chlorothiophen-2-yl)sulfonylimino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[(2Z)-2-[(5-chloro-2-thienyl)sulfonylimino]-5,7-dimethyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C16H15ClN2O4S3 MolecularWeight: 430.9493

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N(C(=NS(=O)(=O)C3=CC=C(S3)Cl)S2)CC(=O)OC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N(/C(=N/S(=O)(=O)C3=CC=C(S3)Cl)/S2)CC(=O)OC)C

InChI

InChI=1S/C16H15ClN2O4S3/c1-9-6-10(2)15-11(7-9)19(8-13(20)23-3)16(25-15)18-26(21,22)14-5-4-12(17)24-14/h4-7H,8H2,1-3H3/b18-16-