S-[3-[(2-azanyl-1-phenyl-butan-2-yl)-(1,3-benzodioxol-5-ylsulfonyl)amino]-2-methyl-3-oxidanylidene-propyl] ethanethioate

Systemtic Name: S-[3-[(2-azanyl-1-phenyl-butan-2-yl)-(1,3-benzodioxol-5-ylsulfonyl)amino]-2-methyl-3-oxidanylidene-propyl] ethanethioate Openeye Name: S-[3-[(1-amino-1-benzyl-propyl)-(1,3-benzodioxol-5-ylsulfonyl)amino]-2-methyl-3-oxo-propyl] ethanethioate CAS Name: ethanethioic acid S-[3-[(2-amino-1-phenylbutan-2-yl)-(1,3-benzodioxol-5-ylsulfonyl)amino]-2-methyl-3-oxopropyl] ester IUPAC Name: S-[3-[(2-amino-1-phenylbutan-2-yl)-(1,3-benzodioxol-5-ylsulfonyl)amino]-2-methyl-3-oxopropyl] ethanethioate Traditional Name: ethanethioic acid S-[3-[(1-amino-1-benzyl-propyl)-(1,3-benzodioxol-5-ylsulfonyl)amino]-3-keto-2-methyl-propyl] ester Formula: C23H28N2O6S2 MolecularWeight: 492.60822

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)(N)N(C(=O)C(C)CSC(=O)C)S(=O)(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCC(CC1=CC=CC=C1)(N)N(C(=O)C(C)CSC(=O)C)S(=O)(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C23H28N2O6S2/c1-4-23(24,13-18-8-6-5-7-9-18)25(22(27)16(2)14-32-17(3)26)33(28,29)19-10-11-20-21(12-19)31-15-30-20/h5-12,16H,4,13-15,24H2,1-3H3