ethyl 3-azanyl-1-[3-(4-methoxyphenyl)sulfanylpropanoyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 3-azanyl-1-[3-(4-methoxyphenyl)sulfanylpropanoyl]pyrazole-4-carboxylate Openeye Name: ethyl 3-amino-1-[3-(4-methoxyphenyl)sulfanylpropanoyl]pyrazole-4-carboxylate CAS Name: 3-amino-1-[3-[(4-methoxyphenyl)thio]-1-oxopropyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-1-[3-(4-methoxyphenyl)sulfanylpropanoyl]pyrazole-4-carboxylate Traditional Name: 3-amino-1-[3-[(4-methoxyphenyl)thio]propanoyl]pyrazole-4-carboxylic acid ethyl ester Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(N=C1N)C(=O)CCSC2=CC=C(C=C2)OC

Isomeric SMILES

CCOC(=O)C1=CN(N=C1N)C(=O)CCSC2=CC=C(C=C2)OC

InChI

InChI=1S/C16H19N3O4S/c1-3-23-16(21)13-10-19(18-15(13)17)14(20)8-9-24-12-6-4-11(22-2)5-7-12/h4-7,10H,3,8-9H2,1-2H3,(H2,17,18)