[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-nitrobenzoate

Systemtic Name: [2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-nitrobenzoate Openeye Name: [2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-keto-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl] ester Formula: C17H13N3O6S MolecularWeight: 387.36662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N3O6S/c1-25-12-6-7-13-14(8-12)27-17(18-13)19-15(21)9-26-16(22)10-2-4-11(5-3-10)20(23)24/h2-8H,9H2,1H3,(H,18,19,21)