[(E)-[1-azanyl-3-(cyclohexylamino)-3-oxidanylidene-propylidene]amino] (2S)-1-thiophen-2-ylcarbonylpyrrolidine-2-carboxylate

Systemtic Name: [(E)-[1-azanyl-3-(cyclohexylamino)-3-oxidanylidene-propylidene]amino] (2S)-1-thiophen-2-ylcarbonylpyrrolidine-2-carboxylate Openeye Name: [(E)-[1-amino-3-(cyclohexylamino)-3-oxo-propylidene]amino] (2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid [(E)-[1-amino-3-(cyclohexylamino)-3-oxopropylidene]amino] ester IUPAC Name: [(E)-[1-amino-3-(cyclohexylamino)-3-oxopropylidene]amino] (2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate Traditional Name: (2S)-1-(2-thenoyl)pyrrolidine-2-carboxylic acid [(E)-[1-amino-3-(cyclohexylamino)-3-keto-propylidene]amino] ester Formula: C19H26N4O4S MolecularWeight: 406.49914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CC(=NOC(=O)C2CCCN2C(=O)C3=CC=CS3)N

Isomeric SMILES

C1CCC(CC1)NC(=O)C/C(=N\OC(=O)[C@@H]2CCCN2C(=O)C3=CC=CS3)/N

InChI

InChI=1S/C19H26N4O4S/c20-16(12-17(24)21-13-6-2-1-3-7-13)22-27-19(26)14-8-4-10-23(14)18(25)15-9-5-11-28-15/h5,9,11,13-14H,1-4,6-8,10,12H2,(H2,20,22)(H,21,24)/t14-/m0/s1