methyl 4-[(6-nitro-3-propyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate

Systemtic Name: methyl 4-[(6-nitro-3-propyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate Openeye Name: methyl 4-[(6-nitro-3-propyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate CAS Name: 4-[[(6-nitro-3-propyl-1,3-benzothiazol-2-ylidene)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(6-nitro-3-propyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate Traditional Name: 4-[(6-nitro-3-propyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoic acid methyl ester Formula: C19H17N3O5S MolecularWeight: 399.42038

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C19H17N3O5S/c1-3-10-21-15-9-8-14(22(25)26)11-16(15)28-19(21)20-17(23)12-4-6-13(7-5-12)18(24)27-2/h4-9,11H,3,10H2,1-2H3