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

Systemtic Name: methyl 4-[[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate Openeye Name: methyl 4-[[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate CAS Name: 4-[[[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate Traditional Name: 4-[[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]carbamoyl]benzoic acid methyl ester Formula: C19H17N3O6S MolecularWeight: 415.41978

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COCCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C19H17N3O6S/c1-27-10-9-21-15-11-14(22(25)26)7-8-16(15)29-19(21)20-17(23)12-3-5-13(6-4-12)18(24)28-2/h3-8,11H,9-10H2,1-2H3