tert-butyl 5-[ethanoyl(phenyl)amino]-4-ethoxycarbothioylsulfanyl-pentanoate

Systemtic Name: tert-butyl 5-[ethanoyl(phenyl)amino]-4-ethoxycarbothioylsulfanyl-pentanoate Openeye Name: tert-butyl 5-(N-acetylanilino)-4-ethoxycarbothioylsulfanyl-pentanoate CAS Name: 5-(N-acetylanilino)-4-[[ethoxy(sulfanylidene)methyl]thio]pentanoic acid tert-butyl ester IUPAC Name: tert-butyl 5-(N-acetylanilino)-4-ethoxycarbothioylsulfanylpentanoate Traditional Name: 5-(N-acetylanilino)-4-(ethoxycarbothioylthio)valeric acid tert-butyl ester Formula: C20H29NO4S2 MolecularWeight: 411.57856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SC(CCC(=O)OC(C)(C)C)CN(C1=CC=CC=C1)C(=O)C

Isomeric SMILES

CCOC(=S)SC(CCC(=O)OC(C)(C)C)CN(C1=CC=CC=C1)C(=O)C

InChI

InChI=1S/C20H29NO4S2/c1-6-24-19(26)27-17(12-13-18(23)25-20(3,4)5)14-21(15(2)22)16-10-8-7-9-11-16/h7-11,17H,6,12-14H2,1-5H3