methyl 2-[2-(4-ethoxyphenyl)carbonylimino-5,7-dimethyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(4-ethoxyphenyl)carbonylimino-5,7-dimethyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(4-ethoxybenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(4-ethoxyphenyl)-oxomethyl]imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(4-ethoxybenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-ethoxybenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)N=C2N(C3=CC(=CC(=C3S2)C)C)CC(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N=C2N(C3=CC(=CC(=C3S2)C)C)CC(=O)OC

InChI

InChI=1S/C21H22N2O4S/c1-5-27-16-8-6-15(7-9-16)20(25)22-21-23(12-18(24)26-4)17-11-13(2)10-14(3)19(17)28-21/h6-11H,5,12H2,1-4H3