ethyl 5-azanyl-4-cyano-3-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 3-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-5-amino-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 3-[[[5-(allylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-5-amino-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C14H15N5O2S3 MolecularWeight: 381.4962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NN=C(S2)NCC=C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NN=C(S2)NCC=C

InChI

InChI=1S/C14H15N5O2S3/c1-3-5-17-13-18-19-14(24-13)22-7-9-8(6-15)11(16)23-10(9)12(20)21-4-2/h3H,1,4-5,7,16H2,2H3,(H,17,18)