methyl 2-[6-acetamido-2-[2,5-bis(chloranyl)thiophen-3-yl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-acetamido-2-[2,5-bis(chloranyl)thiophen-3-yl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-acetamido-2-(2,5-dichlorothiophene-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-acetamido-2-[(2,5-dichloro-3-thiophenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-acetamido-2-(2,5-dichlorothiophene-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-acetamido-2-(2,5-dichlorothiophene-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C17H13Cl2N3O4S2 MolecularWeight: 458.33882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=C(SC(=C3)Cl)Cl)S2)CC(=O)OC

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=C(SC(=C3)Cl)Cl)S2)CC(=O)OC

InChI

InChI=1S/C17H13Cl2N3O4S2/c1-8(23)20-9-3-4-11-12(5-9)27-17(22(11)7-14(24)26-2)21-16(25)10-6-13(18)28-15(10)19/h3-6H,7H2,1-2H3,(H,20,23)