methyl 4-[[3-(2-methoxy-2-oxidanylidene-ethyl)-5-nitro-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate

Systemtic Name: methyl 4-[[3-(2-methoxy-2-oxidanylidene-ethyl)-5-nitro-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate Openeye Name: methyl 4-[[3-(2-methoxy-2-oxo-ethyl)-5-nitro-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate CAS Name: 4-[[[3-(2-methoxy-2-oxoethyl)-5-nitro-1,3-benzothiazol-2-ylidene]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(2-methoxy-2-oxoethyl)-5-nitro-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate Traditional Name: 4-[[3-(2-keto-2-methoxy-ethyl)-5-nitro-1,3-benzothiazol-2-ylidene]carbamoyl]benzoic acid methyl ester Formula: C19H15N3O7S MolecularWeight: 429.4033

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C19H15N3O7S/c1-28-16(23)10-21-14-9-13(22(26)27)7-8-15(14)30-19(21)20-17(24)11-3-5-12(6-4-11)18(25)29-2/h3-9H,10H2,1-2H3