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

Systemtic Name: methyl 2-[6-methyl-2-[4-(phenylmethyl)phenyl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C25H22N2O3S MolecularWeight: 430.51878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)CC4=CC=CC=C4)S2)CC(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)CC4=CC=CC=C4)S2)CC(=O)OC

InChI

InChI=1S/C25H22N2O3S/c1-17-8-13-21-22(14-17)31-25(27(21)16-23(28)30-2)26-24(29)20-11-9-19(10-12-20)15-18-6-4-3-5-7-18/h3-14H,15-16H2,1-2H3