methyl 2-[6-acetamido-2-(2,4-dichlorophenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-acetamido-2-(2,4-dichlorophenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-acetamido-2-(2,4-dichlorobenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-acetamido-2-[(2,4-dichlorophenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-acetamido-2-(2,4-dichlorobenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-acetamido-2-(2,4-dichlorobenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C19H15Cl2N3O4S MolecularWeight: 452.3111

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15Cl2N3O4S/c1-10(25)22-12-4-6-15-16(8-12)29-19(24(15)9-17(26)28-2)23-18(27)13-5-3-11(20)7-14(13)21/h3-8H,9H2,1-2H3,(H,22,25)