[4-[[2-(2,5-dihydropyrrol-1-yl)-4-sulfanylidene-cyclohexyl]-methyl-carbamoyl]phenyl] propanoate

Systemtic Name: [4-[[2-(2,5-dihydropyrrol-1-yl)-4-sulfanylidene-cyclohexyl]-methyl-carbamoyl]phenyl] propanoate Openeye Name: [4-[[2-(2,5-dihydropyrrol-1-yl)-4-thioxo-cyclohexyl]-methyl-carbamoyl]phenyl] propanoate CAS Name: propanoic acid [4-[[[2-(2,5-dihydropyrrol-1-yl)-4-sulfanylidenecyclohexyl]-methylamino]-oxomethyl]phenyl] ester IUPAC Name: [4-[[2-(2,5-dihydropyrrol-1-yl)-4-sulfanylidenecyclohexyl]-methylcarbamoyl]phenyl] propanoate Traditional Name: propionic acid [4-[methyl-[2-(3-pyrrolin-1-yl)-4-thioxo-cyclohexyl]carbamoyl]phenyl] ester Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=CC=C(C=C1)C(=O)N(C)C2CCC(=S)CC2N3CC=CC3

Isomeric SMILES

CCC(=O)OC1=CC=C(C=C1)C(=O)N(C)C2CCC(=S)CC2N3CC=CC3

InChI

InChI=1S/C21H26N2O3S/c1-3-20(24)26-16-8-6-15(7-9-16)21(25)22(2)18-11-10-17(27)14-19(18)23-12-4-5-13-23/h4-9,18-19H,3,10-14H2,1-2H3