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

Systemtic Name: ethyl 2-[6-ethoxy-2-[4-(phenylmethyl)phenyl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C27H26N2O4S MolecularWeight: 474.57134

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C27H26N2O4S/c1-3-32-22-14-15-23-24(17-22)34-27(29(23)18-25(30)33-4-2)28-26(31)21-12-10-20(11-13-21)16-19-8-6-5-7-9-19/h5-15,17H,3-4,16,18H2,1-2H3