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

Systemtic Name: methyl 2-[6-ethoxy-2-(4-methylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-ethoxy-2-(4-methylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-ethoxy-2-[(4-methylphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-ethoxy-2-(4-methylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-(6-ethoxy-2-p-toluoylimino-1,3-benzothiazol-3-yl)acetic acid methyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)C)S2)CC(=O)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)C)S2)CC(=O)OC

InChI

InChI=1S/C20H20N2O4S/c1-4-26-15-9-10-16-17(11-15)27-20(22(16)12-18(23)25-3)21-19(24)14-7-5-13(2)6-8-14/h5-11H,4,12H2,1-3H3