ethyl 2-cyclopropylcarbonyl-4-ethoxycarbothioylsulfanyl-5-[(4-methylphenyl)sulfonylamino]pentanoate

Systemtic Name: ethyl 2-cyclopropylcarbonyl-4-ethoxycarbothioylsulfanyl-5-[(4-methylphenyl)sulfonylamino]pentanoate Openeye Name: ethyl 2-(cyclopropanecarbonyl)-4-ethoxycarbothioylsulfanyl-5-(p-tolylsulfonylamino)pentanoate CAS Name: 2-[cyclopropyl(oxo)methyl]-4-[[ethoxy(sulfanylidene)methyl]thio]-5-[(4-methylphenyl)sulfonylamino]pentanoic acid ethyl ester IUPAC Name: ethyl 2-(cyclopropanecarbonyl)-4-ethoxycarbothioylsulfanyl-5-[(4-methylphenyl)sulfonylamino]pentanoate Traditional Name: 2-(cyclopropanecarbonyl)-4-(ethoxycarbothioylthio)-5-(tosylamino)valeric acid ethyl ester Formula: C21H29NO6S3 MolecularWeight: 487.65306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(CNS(=O)(=O)C1=CC=C(C=C1)C)SC(=S)OCC)C(=O)C2CC2

Isomeric SMILES

CCOC(=O)C(CC(CNS(=O)(=O)C1=CC=C(C=C1)C)SC(=S)OCC)C(=O)C2CC2

InChI

InChI=1S/C21H29NO6S3/c1-4-27-20(24)18(19(23)15-8-9-15)12-16(30-21(29)28-5-2)13-22-31(25,26)17-10-6-14(3)7-11-17/h6-7,10-11,15-16,18,22H,4-5,8-9,12-13H2,1-3H3