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

Systemtic Name: methyl 2-[6-acetamido-2-(4-cyanophenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-acetamido-2-(4-cyanobenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-acetamido-2-[(4-cyanophenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-acetamido-2-(4-cyanobenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-acetamido-2-(4-cyanobenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C20H16N4O4S MolecularWeight: 408.43044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N4O4S/c1-12(25)22-15-7-8-16-17(9-15)29-20(24(16)11-18(26)28-2)23-19(27)14-5-3-13(10-21)4-6-14/h3-9H,11H2,1-2H3,(H,22,25)