(2S)-2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-N-(2-hydroxyethyl)propanamide

Systemtic Name: (2S)-2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-N-(2-hydroxyethyl)propanamide Openeye Name: (2S)-2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-N-(2-hydroxyethyl)propanamide CAS Name: (2S)-2-acetamido-3-[(9-ethyl-3-carbazolyl)thio]-N-(2-hydroxyethyl)propanamide IUPAC Name: (2S)-2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-N-(2-hydroxyethyl)propanamide Traditional Name: (2S)-2-acetamido-3-[(9-ethylcarbazol-3-yl)thio]-N-(2-hydroxyethyl)propionamide Formula: C21H25N3O3S MolecularWeight: 399.5065

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)SCC(C(=O)NCCO)NC(=O)C)C3=CC=CC=C31

Isomeric SMILES

CCN1C2=C(C=C(C=C2)SC[C@H](C(=O)NCCO)NC(=O)C)C3=CC=CC=C31

InChI

InChI=1S/C21H25N3O3S/c1-3-24-19-7-5-4-6-16(19)17-12-15(8-9-20(17)24)28-13-18(23-14(2)26)21(27)22-10-11-25/h4-9,12,18,25H,3,10-11,13H2,1-2H3,(H,22,27)(H,23,26)/t18-/m1/s1