prop-2-enyl 2-[2-(3-azanyl-5-ethylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: prop-2-enyl 2-[2-(3-azanyl-5-ethylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: allyl 2-[2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]-1-oxobutyl]amino]-4-methyl-5-thiazolecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 2-[2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]butanoylamino]-4-methyl-thiazole-5-carboxylic acid allyl ester Formula: C16H22N6O3S2 MolecularWeight: 410.51428

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC(=C(S1)C(=O)OCC=C)C)N2C(=NN=C2SCC)N

Isomeric SMILES

CCC(C(=O)NC1=NC(=C(S1)C(=O)OCC=C)C)N2C(=NN=C2SCC)N

InChI

InChI=1S/C16H22N6O3S2/c1-5-8-25-13(24)11-9(4)18-15(27-11)19-12(23)10(6-2)22-14(17)20-21-16(22)26-7-3/h5,10H,1,6-8H2,2-4H3,(H2,17,20)(H,18,19,23)