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

Systemtic Name: methyl 2-[4-methyl-2-(2-nitrophenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[4-methyl-2-(2-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[4-methyl-2-[(2-nitrophenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4-methyl-2-(2-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[4-methyl-2-(2-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C18H15N3O5S MolecularWeight: 385.3938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O5S/c1-11-6-5-9-14-16(11)20(10-15(22)26-2)18(27-14)19-17(23)12-7-3-4-8-13(12)21(24)25/h3-9H,10H2,1-2H3