methyl 2-[5,7-dimethyl-2-(2-nitrophenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[5,7-dimethyl-2-(2-nitrophenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[5,7-dimethyl-2-(2-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[5,7-dimethyl-2-[(2-nitrophenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[5,7-dimethyl-2-(2-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[5,7-dimethyl-2-(2-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)N(C(=NC(=O)C3=CC=CC=C3[N+](=O)[O-])S2)CC(=O)OC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N(C(=NC(=O)C3=CC=CC=C3[N+](=O)[O-])S2)CC(=O)OC)C

InChI

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