methyl 3-[4,7-dimethoxy-2-[4-(phenylmethyl)phenyl]carbonylimino-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[4,7-dimethoxy-2-[4-(phenylmethyl)phenyl]carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-(4-benzylbenzoyl)imino-4,7-dimethoxy-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[4,7-dimethoxy-2-[oxo-[4-(phenylmethyl)phenyl]methyl]imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(4-benzylbenzoyl)imino-4,7-dimethoxy-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(4-benzylbenzoyl)imino-4,7-dimethoxy-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C27H26N2O5S MolecularWeight: 490.57074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)SC(=NC(=O)C3=CC=C(C=C3)CC4=CC=CC=C4)N2CCC(=O)OC

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)SC(=NC(=O)C3=CC=C(C=C3)CC4=CC=CC=C4)N2CCC(=O)OC

InChI

InChI=1S/C27H26N2O5S/c1-32-21-13-14-22(33-2)25-24(21)29(16-15-23(30)34-3)27(35-25)28-26(31)20-11-9-19(10-12-20)17-18-7-5-4-6-8-18/h4-14H,15-17H2,1-3H3