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

Systemtic Name: methyl 2-[6-ethoxy-2-[4-(phenylmethyl)phenyl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(4-benzylbenzoyl)imino-6-ethoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-ethoxy-2-[oxo-[4-(phenylmethyl)phenyl]methyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(4-benzylbenzoyl)imino-6-ethoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-benzylbenzoyl)imino-6-ethoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C26H24N2O4S MolecularWeight: 460.54476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)CC4=CC=CC=C4)S2)CC(=O)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)CC4=CC=CC=C4)S2)CC(=O)OC

InChI

InChI=1S/C26H24N2O4S/c1-3-32-21-13-14-22-23(16-21)33-26(28(22)17-24(29)31-2)27-25(30)20-11-9-19(10-12-20)15-18-7-5-4-6-8-18/h4-14,16H,3,15,17H2,1-2H3