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

Systemtic Name: methyl 2-[6-methoxy-2-(4-nitrophenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-methoxy-2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-methoxy-2-[(4-nitrophenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-methoxy-2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-methoxy-2-(4-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=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])S2)CC(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])S2)CC(=O)OC

InChI

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