methyl 2-[5,6-dimethoxy-2-[4-(phenylmethyl)phenyl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[5,6-dimethoxy-2-[4-(phenylmethyl)phenyl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(4-benzylbenzoyl)imino-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[5,6-dimethoxy-2-[oxo-[4-(phenylmethyl)phenyl]methyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(4-benzylbenzoyl)imino-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-benzylbenzoyl)imino-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C26H24N2O5S MolecularWeight: 476.54416

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N(C(=NC(=O)C3=CC=C(C=C3)CC4=CC=CC=C4)S2)CC(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N(C(=NC(=O)C3=CC=C(C=C3)CC4=CC=CC=C4)S2)CC(=O)OC)OC

InChI

InChI=1S/C26H24N2O5S/c1-31-21-14-20-23(15-22(21)32-2)34-26(28(20)16-24(29)33-3)27-25(30)19-11-9-18(10-12-19)13-17-7-5-4-6-8-17/h4-12,14-15H,13,16H2,1-3H3