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

Systemtic Name: methyl 2-[4-methoxy-2-(3-nitrophenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[4-methoxy-2-(3-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[4-methoxy-2-[(3-nitrophenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4-methoxy-2-(3-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[4-methoxy-2-(3-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C18H15N3O6S MolecularWeight: 401.3932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC=C1)SC(=NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])N2CC(=O)OC

Isomeric SMILES

COC1=C2C(=CC=C1)SC(=NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])N2CC(=O)OC

InChI

InChI=1S/C18H15N3O6S/c1-26-13-7-4-8-14-16(13)20(10-15(22)27-2)18(28-14)19-17(23)11-5-3-6-12(9-11)21(24)25/h3-9H,10H2,1-2H3