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

Systemtic Name: pyridin-2-ylmethyl 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzoate Openeye Name: 2-pyridylmethyl 4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzoate CAS Name: 4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzoic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzoate Traditional Name: 4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzoic acid 2-pyridylmethyl ester Formula: C17H13N3O4S2 MolecularWeight: 387.43282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)OCC3=CC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)OCC3=CC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O4S2/c1-11-10-25-17(19-11)26-15-6-5-12(8-14(15)20(22)23)16(21)24-9-13-4-2-3-7-18-13/h2-8,10H,9H2,1H3