ethyl 4-[2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]piperidine-1-carboxylate CAS Name: 4-[[2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]acetyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C18H27N5O3S MolecularWeight: 393.50368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CSC2=NN=C(N2CC=C)C3CC3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CSC2=NN=C(N2CC=C)C3CC3

InChI

InChI=1S/C18H27N5O3S/c1-3-9-23-16(13-5-6-13)20-21-17(23)27-12-15(24)19-14-7-10-22(11-8-14)18(25)26-4-2/h3,13-14H,1,4-12H2,2H3,(H,19,24)