ethyl 3-methyl-2-(phenylsulfanylamino)-2-propyl-pent-4-ynoate

Systemtic Name: ethyl 3-methyl-2-(phenylsulfanylamino)-2-propyl-pent-4-ynoate Openeye Name: ethyl 3-methyl-2-(phenylsulfanylamino)-2-propyl-pent-4-ynoate CAS Name: 3-methyl-2-[(phenylthio)amino]-2-propyl-4-pentynoic acid ethyl ester IUPAC Name: ethyl 3-methyl-2-(phenylsulfanylamino)-2-propylpent-4-ynoate Traditional Name: 3-methyl-2-[(phenylthio)amino]-2-propyl-pent-4-ynoic acid ethyl ester Formula: C17H23NO2S MolecularWeight: 305.43502

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C)C#C)(C(=O)OCC)NSC1=CC=CC=C1

Isomeric SMILES

CCCC(C(C)C#C)(C(=O)OCC)NSC1=CC=CC=C1

InChI

InChI=1S/C17H23NO2S/c1-5-13-17(14(4)6-2,16(19)20-7-3)18-21-15-11-9-8-10-12-15/h2,8-12,14,18H,5,7,13H2,1,3-4H3