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

Systemtic Name: methyl 2-[4-methoxy-2-(4-propan-2-yloxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(4-isopropoxybenzoyl)imino-4-methoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[4-methoxy-2-[oxo-(4-propan-2-yloxyphenyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4-methoxy-2-(4-propan-2-yloxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-isopropoxybenzoyl)imino-4-methoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)N=C2N(C3=C(C=CC=C3S2)OC)CC(=O)OC

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)N=C2N(C3=C(C=CC=C3S2)OC)CC(=O)OC

InChI

InChI=1S/C21H22N2O5S/c1-13(2)28-15-10-8-14(9-11-15)20(25)22-21-23(12-18(24)27-4)19-16(26-3)6-5-7-17(19)29-21/h5-11,13H,12H2,1-4H3