propan-2-yl 5-[[3-(1,3-dithian-2-yl)phenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: propan-2-yl 5-[[3-(1,3-dithian-2-yl)phenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: isopropyl 5-[[3-(1,3-dithian-2-yl)phenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[3-(1,3-dithian-2-yl)anilino]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-[[3-(1,3-dithian-2-yl)phenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[[3-(1,3-dithian-2-yl)phenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid isopropyl ester Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)NC2=CC=CC(=C2)C3SCCCS3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)NC2=CC=CC(=C2)C3SCCCS3

InChI

InChI=1S/C21H26N2O3S2/c1-12(2)26-20(25)17-13(3)18(22-14(17)4)19(24)23-16-8-5-7-15(11-16)21-27-9-6-10-28-21/h5,7-8,11-12,21-22H,6,9-10H2,1-4H3,(H,23,24)