[4-(2,5-dimethyl-3-morpholin-4-ylcarbothioyl-pyrrol-1-yl)phenyl] 4-chloranylbenzoate

Systemtic Name: [4-(2,5-dimethyl-3-morpholin-4-ylcarbothioyl-pyrrol-1-yl)phenyl] 4-chloranylbenzoate Openeye Name: [4-[2,5-dimethyl-3-(morpholine-4-carbothioyl)pyrrol-1-yl]phenyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [4-[2,5-dimethyl-3-[4-morpholinyl(sulfanylidene)methyl]-1-pyrrolyl]phenyl] ester IUPAC Name: [4-[2,5-dimethyl-3-(morpholine-4-carbothioyl)pyrrol-1-yl]phenyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [4-[2,5-dimethyl-3-(morpholine-4-carbothioyl)pyrrol-1-yl]phenyl] ester Formula: C24H23ClN2O3S MolecularWeight: 454.96902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Cl)C)C(=S)N4CCOCC4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Cl)C)C(=S)N4CCOCC4

InChI

InChI=1S/C24H23ClN2O3S/c1-16-15-22(23(31)26-11-13-29-14-12-26)17(2)27(16)20-7-9-21(10-8-20)30-24(28)18-3-5-19(25)6-4-18/h3-10,15H,11-14H2,1-2H3