prop-2-ynyl 4-[4-[(2-pyrrol-1-ylphenyl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate

Systemtic Name: prop-2-ynyl 4-[4-[(2-pyrrol-1-ylphenyl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Openeye Name: prop-2-ynyl 4-[4-[(2-pyrrol-1-ylphenyl)carbamoyl]thiazol-2-yl]piperidine-1-carboxylate CAS Name: 4-[4-[oxo-[2-(1-pyrrolyl)anilino]methyl]-2-thiazolyl]-1-piperidinecarboxylic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl 4-[4-[(2-pyrrol-1-ylphenyl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[(2-pyrrol-1-ylphenyl)carbamoyl]thiazol-2-yl]piperidine-1-carboxylic acid propargyl ester Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC(=O)N1CCC(CC1)C2=NC(=CS2)C(=O)NC3=CC=CC=C3N4C=CC=C4

Isomeric SMILES

C#CCOC(=O)N1CCC(CC1)C2=NC(=CS2)C(=O)NC3=CC=CC=C3N4C=CC=C4

InChI

InChI=1S/C23H22N4O3S/c1-2-15-30-23(29)27-13-9-17(10-14-27)22-25-19(16-31-22)21(28)24-18-7-3-4-8-20(18)26-11-5-6-12-26/h1,3-8,11-12,16-17H,9-10,13-15H2,(H,24,28)