propan-2-yl 2-[[(E)-3-[1-(2-azanyl-2-oxidanylidene-ethyl)indol-3-yl]-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-[[(E)-3-[1-(2-azanyl-2-oxidanylidene-ethyl)indol-3-yl]-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: isopropyl 2-[[(E)-3-[1-(2-amino-2-oxo-ethyl)indol-3-yl]-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[(E)-3-[1-(2-amino-2-oxoethyl)-3-indolyl]-2-cyano-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[(E)-3-[1-(2-amino-2-oxoethyl)indol-3-yl]-2-cyanoprop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(E)-3-[1-(2-amino-2-keto-ethyl)indol-3-yl]-2-cyano-acryloyl]amino]thiophene-3-carboxylic acid isopropyl ester Formula: C22H20N4O4S MolecularWeight: 436.4836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(SC=C1)NC(=O)C(=CC2=CN(C3=CC=CC=C32)CC(=O)N)C#N

Isomeric SMILES

CC(C)OC(=O)C1=C(SC=C1)NC(=O)/C(=C/C2=CN(C3=CC=CC=C32)CC(=O)N)/C#N

InChI

InChI=1S/C22H20N4O4S/c1-13(2)30-22(29)17-7-8-31-21(17)25-20(28)14(10-23)9-15-11-26(12-19(24)27)18-6-4-3-5-16(15)18/h3-9,11,13H,12H2,1-2H3,(H2,24,27)(H,25,28)/b14-9+