propyl 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzoate

Systemtic Name: propyl 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzoate Openeye Name: propyl 4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzoate CAS Name: 4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzoic acid propyl ester IUPAC Name: propyl 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzoate Traditional Name: 4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzoic acid propyl ester Formula: C14H14N2O4S2 MolecularWeight: 338.40196

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC(=C(C=C1)SC2=NC(=CS2)C)[N+](=O)[O-]

Isomeric SMILES

CCCOC(=O)C1=CC(=C(C=C1)SC2=NC(=CS2)C)[N+](=O)[O-]

InChI

InChI=1S/C14H14N2O4S2/c1-3-6-20-13(17)10-4-5-12(11(7-10)16(18)19)22-14-15-9(2)8-21-14/h4-5,7-8H,3,6H2,1-2H3