methyl 4-[(2-propan-2-yloxycarbothioylsulfanylpropanoylamino)methyl]benzoate

Systemtic Name: methyl 4-[(2-propan-2-yloxycarbothioylsulfanylpropanoylamino)methyl]benzoate Openeye Name: methyl 4-[(2-isopropoxycarbothioylsulfanylpropanoylamino)methyl]benzoate CAS Name: 4-[[[1-oxo-2-[[propan-2-yloxy(sulfanylidene)methyl]thio]propyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-propan-2-yloxycarbothioylsulfanylpropanoylamino)methyl]benzoate Traditional Name: 4-[[2-(isopropoxycarbothioylthio)propanoylamino]methyl]benzoic acid methyl ester Formula: C16H21NO4S2 MolecularWeight: 355.47224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=S)SC(C)C(=O)NCC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CC(C)OC(=S)SC(C)C(=O)NCC1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C16H21NO4S2/c1-10(2)21-16(22)23-11(3)14(18)17-9-12-5-7-13(8-6-12)15(19)20-4/h5-8,10-11H,9H2,1-4H3,(H,17,18)