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

Systemtic Name: methyl 2-[6-acetamido-2-(4-ethanoylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-acetamido-2-(4-acetylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-acetamido-2-[(4-acetylphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-acetamido-2-(4-acetylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-acetamido-2-(4-acetylbenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H19N3O5S MolecularWeight: 425.45766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O5S/c1-12(25)14-4-6-15(7-5-14)20(28)23-21-24(11-19(27)29-3)17-9-8-16(22-13(2)26)10-18(17)30-21/h4-10H,11H2,1-3H3,(H,22,26)