[2-[(9-ethylcarbazol-3-yl)amino]-2-oxidanylidene-ethyl] (2S)-1-thiophen-2-ylcarbonylpyrrolidine-2-carboxylate

Systemtic Name: [2-[(9-ethylcarbazol-3-yl)amino]-2-oxidanylidene-ethyl] (2S)-1-thiophen-2-ylcarbonylpyrrolidine-2-carboxylate Openeye Name: [2-[(9-ethylcarbazol-3-yl)amino]-2-oxo-ethyl] (2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid [2-[(9-ethyl-3-carbazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] (2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate Traditional Name: (2S)-1-(2-thenoyl)pyrrolidine-2-carboxylic acid [2-[(9-ethylcarbazol-3-yl)amino]-2-keto-ethyl] ester Formula: C26H25N3O4S MolecularWeight: 475.5594

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)COC(=O)C3CCCN3C(=O)C4=CC=CS4)C5=CC=CC=C51

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)COC(=O)[C@@H]3CCCN3C(=O)C4=CC=CS4)C5=CC=CC=C51

InChI

InChI=1S/C26H25N3O4S/c1-2-28-20-8-4-3-7-18(20)19-15-17(11-12-21(19)28)27-24(30)16-33-26(32)22-9-5-13-29(22)25(31)23-10-6-14-34-23/h3-4,6-8,10-12,14-15,22H,2,5,9,13,16H2,1H3,(H,27,30)/t22-/m0/s1