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

Systemtic Name: [2-(ethylamino)-2-oxidanylidene-ethyl] 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzoate Openeye Name: [2-(ethylamino)-2-oxo-ethyl] 4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzoate CAS Name: 4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzoic acid [2-(ethylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethylamino)-2-oxoethyl] 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzoate Traditional Name: 4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzoic acid [2-(ethylamino)-2-keto-ethyl] ester Formula: C15H15N3O5S2 MolecularWeight: 381.4267

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O5S2/c1-3-16-13(19)7-23-14(20)10-4-5-12(11(6-10)18(21)22)25-15-17-9(2)8-24-15/h4-6,8H,3,7H2,1-2H3,(H,16,19)