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

Systemtic Name: methyl 2-[6-nitro-2-[4-(phenylmethyl)phenyl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(4-benzylbenzoyl)imino-6-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-nitro-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-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-benzylbenzoyl)imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C24H19N3O5S MolecularWeight: 461.48976

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H19N3O5S/c1-32-22(28)15-26-20-12-11-19(27(30)31)14-21(20)33-24(26)25-23(29)18-9-7-17(8-10-18)13-16-5-3-2-4-6-16/h2-12,14H,13,15H2,1H3