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

Systemtic Name: methyl 2-[4,6-dimethyl-2-(4-nitrophenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[4,6-dimethyl-2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[4,6-dimethyl-2-[(4-nitrophenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4,6-dimethyl-2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[4,6-dimethyl-2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C19H17N3O5S MolecularWeight: 399.42038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])N2CC(=O)OC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])N2CC(=O)OC)C

InChI

InChI=1S/C19H17N3O5S/c1-11-8-12(2)17-15(9-11)28-19(21(17)10-16(23)27-3)20-18(24)13-4-6-14(7-5-13)22(25)26/h4-9H,10H2,1-3H3