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

Systemtic Name: methyl 2-[6-acetamido-2-(2-methylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-acetamido-2-(2-methylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-acetamido-2-[(2-methylphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-acetamido-2-(2-methylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-(6-acetamido-2-o-toluoylimino-1,3-benzothiazol-3-yl)acetic acid methyl ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N=C2N(C3=C(S2)C=C(C=C3)NC(=O)C)CC(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C(=O)N=C2N(C3=C(S2)C=C(C=C3)NC(=O)C)CC(=O)OC

InChI

InChI=1S/C20H19N3O4S/c1-12-6-4-5-7-15(12)19(26)22-20-23(11-18(25)27-3)16-9-8-14(21-13(2)24)10-17(16)28-20/h4-10H,11H2,1-3H3,(H,21,24)