ethyl 2-[[5-[(4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-yl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[5-[(4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-yl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-[(4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carbonyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-[[[4-cyano-2-methyl-5-(1-pyrrolyl)-3-furanyl]-oxomethyl]amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-[(4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carbonyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(4-cyano-2-methyl-5-pyrrol-1-yl-3-furoyl)amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester Formula: C17H15N5O4S2 MolecularWeight: 417.4621

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(S1)NC(=O)C2=C(OC(=C2C#N)N3C=CC=C3)C

Isomeric SMILES

CCOC(=O)CSC1=NN=C(S1)NC(=O)C2=C(OC(=C2C#N)N3C=CC=C3)C

InChI

InChI=1S/C17H15N5O4S2/c1-3-25-12(23)9-27-17-21-20-16(28-17)19-14(24)13-10(2)26-15(11(13)8-18)22-6-4-5-7-22/h4-7H,3,9H2,1-2H3,(H,19,20,24)