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

Systemtic Name: methyl 2-[2-(4-cyanophenyl)carbonylimino-4-ethoxy-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(4-cyanobenzoyl)imino-4-ethoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(4-cyanophenyl)-oxomethyl]imino-4-ethoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(4-cyanobenzoyl)imino-4-ethoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-cyanobenzoyl)imino-4-ethoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=NC(=O)C3=CC=C(C=C3)C#N)N2CC(=O)OC

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=NC(=O)C3=CC=C(C=C3)C#N)N2CC(=O)OC

InChI

InChI=1S/C20H17N3O4S/c1-3-27-15-5-4-6-16-18(15)23(12-17(24)26-2)20(28-16)22-19(25)14-9-7-13(11-21)8-10-14/h4-10H,3,12H2,1-2H3