[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)propanoate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)propanoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 3-[5-methyl-2-(2-thienyl)-1H-indol-3-yl]propanoate CAS Name: 3-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)propanoic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 3-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)propanoate Traditional Name: 3-[5-methyl-2-(2-thienyl)-1H-indol-3-yl]propionic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C22H21N3O3S MolecularWeight: 407.48544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2CCC(=O)OCC(=O)C(C#N)C(=N)C)C3=CC=CS3

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2CCC(=O)OCC(=O)[C@H](C#N)C(=N)C)C3=CC=CS3

InChI

InChI=1S/C22H21N3O3S/c1-13-5-7-18-16(10-13)15(22(25-18)20-4-3-9-29-20)6-8-21(27)28-12-19(26)17(11-23)14(2)24/h3-5,7,9-10,17,24-25H,6,8,12H2,1-2H3/t17-/m1/s1