ethyl 1-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxidanylidene-ethyl]-2,4-dimethyl-5-phenyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 1-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxidanylidene-ethyl]-2,4-dimethyl-5-phenyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxo-ethyl]-2,4-dimethyl-5-phenyl-pyrrole-3-carboxylate CAS Name: 1-[2-[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-2,4-dimethyl-5-phenyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-2,4-dimethyl-5-phenylpyrrole-3-carboxylate Traditional Name: 1-[2-[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]amino]-2-keto-ethyl]-2,4-dimethyl-5-phenyl-pyrrole-3-carboxylic acid ethyl ester Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1C)C2=CC=CC=C2)CC(=O)NC3=NN=C(S3)SCC)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1C)C2=CC=CC=C2)CC(=O)NC3=NN=C(S3)SCC)C

InChI

InChI=1S/C21H24N4O3S2/c1-5-28-19(27)17-13(3)18(15-10-8-7-9-11-15)25(14(17)4)12-16(26)22-20-23-24-21(30-20)29-6-2/h7-11H,5-6,12H2,1-4H3,(H,22,23,26)