ethyl 4-methyl-5-(methylcarbamoyl)-2-[2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-methyl-5-(methylcarbamoyl)-2-[2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate CAS Name: 4-methyl-5-(methylcarbamoyl)-2-[[1-oxo-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]thio]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]thio]acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C17H21N5O4S3 MolecularWeight: 455.57474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)CSC2=NN=C(S2)NCC=C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)CSC2=NN=C(S2)NCC=C

InChI

InChI=1S/C17H21N5O4S3/c1-5-7-19-16-21-22-17(29-16)27-8-10(23)20-14-11(15(25)26-6-2)9(3)12(28-14)13(24)18-4/h5H,1,6-8H2,2-4H3,(H,18,24)(H,19,21)(H,20,23)