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

Systemtic Name: ethyl 2-[6-methyl-2-[4-(phenylmethyl)phenyl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(4-benzylbenzoyl)imino-6-methyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-methyl-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-methyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-benzylbenzoyl)imino-6-methyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C26H24N2O3S MolecularWeight: 444.54536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)C)SC1=NC(=O)C3=CC=C(C=C3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)C)SC1=NC(=O)C3=CC=C(C=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H24N2O3S/c1-3-31-24(29)17-28-22-14-9-18(2)15-23(22)32-26(28)27-25(30)21-12-10-20(11-13-21)16-19-7-5-4-6-8-19/h4-15H,3,16-17H2,1-2H3