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

Systemtic Name: [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-nitrobenzoate Openeye Name: [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C18H15N3O6S MolecularWeight: 401.3932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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