methyl 2-[4-methyl-2-(4-propan-2-yloxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[4-methyl-2-(4-propan-2-yloxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(4-isopropoxybenzoyl)imino-4-methyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[4-methyl-2-[oxo-(4-propan-2-yloxyphenyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4-methyl-2-(4-propan-2-yloxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-isopropoxybenzoyl)imino-4-methyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=NC(=O)C3=CC=C(C=C3)OC(C)C)N2CC(=O)OC

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=NC(=O)C3=CC=C(C=C3)OC(C)C)N2CC(=O)OC

InChI

InChI=1S/C21H22N2O4S/c1-13(2)27-16-10-8-15(9-11-16)20(25)22-21-23(12-18(24)26-4)19-14(3)6-5-7-17(19)28-21/h5-11,13H,12H2,1-4H3