propan-2-yl 2,4-dimethyl-5-[(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)carbamoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: propan-2-yl 2,4-dimethyl-5-[(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)carbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: isopropyl 2,4-dimethyl-5-[[2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]carbamoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[oxo-[[2-(1-pyrrolidinyl)-2-thiophen-2-ylethyl]amino]methyl]-1H-pyrrole-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2,4-dimethyl-5-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)carbamoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[[2-pyrrolidino-2-(2-thienyl)ethyl]carbamoyl]-1H-pyrrole-3-carboxylic acid isopropyl ester Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)NCC(C2=CC=CS2)N3CCCC3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)NCC(C2=CC=CS2)N3CCCC3

InChI

InChI=1S/C21H29N3O3S/c1-13(2)27-21(26)18-14(3)19(23-15(18)4)20(25)22-12-16(17-8-7-11-28-17)24-9-5-6-10-24/h7-8,11,13,16,23H,5-6,9-10,12H2,1-4H3,(H,22,25)