ethyl (3R)-1-[(2S)-2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-propanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3R)-1-[(2S)-2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-propanoyl]piperidine-3-carboxylate Openeye Name: ethyl (3R)-1-[(2S)-2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-propanoyl]piperidine-3-carboxylate CAS Name: (3R)-1-[(2S)-2-acetamido-3-[(9-ethyl-3-carbazolyl)thio]-1-oxopropyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[(2S)-2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanylpropanoyl]piperidine-3-carboxylate Traditional Name: (3R)-1-[(2S)-2-acetamido-3-[(9-ethylcarbazol-3-yl)thio]propanoyl]nipecotic acid ethyl ester Formula: C27H33N3O4S MolecularWeight: 495.63362

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)SCC(C(=O)N3CCCC(C3)C(=O)OCC)NC(=O)C)C4=CC=CC=C41

Isomeric SMILES

CCN1C2=C(C=C(C=C2)SC[C@H](C(=O)N3CCC[C@H](C3)C(=O)OCC)NC(=O)C)C4=CC=CC=C41

InChI

InChI=1S/C27H33N3O4S/c1-4-30-24-11-7-6-10-21(24)22-15-20(12-13-25(22)30)35-17-23(28-18(3)31)26(32)29-14-8-9-19(16-29)27(33)34-5-2/h6-7,10-13,15,19,23H,4-5,8-9,14,16-17H2,1-3H3,(H,28,31)/t19-,23-/m1/s1