S-[3-[[1-[(2,3-dimethoxyphenyl)methyl]pyrazol-4-yl]amino]-2-methyl-3-oxidanylidene-propyl] ethanethioate

Systemtic Name: S-[3-[[1-[(2,3-dimethoxyphenyl)methyl]pyrazol-4-yl]amino]-2-methyl-3-oxidanylidene-propyl] ethanethioate Openeye Name: S-[3-[[1-[(2,3-dimethoxyphenyl)methyl]pyrazol-4-yl]amino]-2-methyl-3-oxo-propyl] ethanethioate CAS Name: ethanethioic acid S-[3-[[1-[(2,3-dimethoxyphenyl)methyl]-4-pyrazolyl]amino]-2-methyl-3-oxopropyl] ester IUPAC Name: S-[3-[[1-[(2,3-dimethoxyphenyl)methyl]pyrazol-4-yl]amino]-2-methyl-3-oxopropyl] ethanethioate Traditional Name: ethanethioic acid S-[3-keto-2-methyl-3-[(1-o-veratrylpyrazol-4-yl)amino]propyl] ester Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)NC1=CN(N=C1)CC2=C(C(=CC=C2)OC)OC

Isomeric SMILES

CC(CSC(=O)C)C(=O)NC1=CN(N=C1)CC2=C(C(=CC=C2)OC)OC

InChI

InChI=1S/C18H23N3O4S/c1-12(11-26-13(2)22)18(23)20-15-8-19-21(10-15)9-14-6-5-7-16(24-3)17(14)25-4/h5-8,10,12H,9,11H2,1-4H3,(H,20,23)