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

Systemtic Name: methyl 2-[6-acetamido-2-(3,4-dimethylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-acetamido-2-(3,4-dimethylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-acetamido-2-[(3,4-dimethylphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-acetamido-2-(3,4-dimethylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-acetamido-2-(3,4-dimethylbenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)NC(=O)C)CC(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)NC(=O)C)CC(=O)OC)C

InChI

InChI=1S/C21H21N3O4S/c1-12-5-6-15(9-13(12)2)20(27)23-21-24(11-19(26)28-4)17-8-7-16(22-14(3)25)10-18(17)29-21/h5-10H,11H2,1-4H3,(H,22,25)