N-[2-[(3-ethynylphenyl)amino]-2-oxidanylidene-ethyl]-N,4,5-trimethyl-2-pyrrol-1-yl-thiophene-3-carboxamide

Systemtic Name: N-[2-[(3-ethynylphenyl)amino]-2-oxidanylidene-ethyl]-N,4,5-trimethyl-2-pyrrol-1-yl-thiophene-3-carboxamide Openeye Name: N-[2-(3-ethynylanilino)-2-oxo-ethyl]-N,4,5-trimethyl-2-pyrrol-1-yl-thiophene-3-carboxamide CAS Name: N-[2-(3-ethynylanilino)-2-oxoethyl]-N,4,5-trimethyl-2-(1-pyrrolyl)-3-thiophenecarboxamide IUPAC Name: N-[2-(3-ethynylanilino)-2-oxoethyl]-N,4,5-trimethyl-2-pyrrol-1-ylthiophene-3-carboxamide Traditional Name: N-[2-(3-ethynylanilino)-2-keto-ethyl]-N,4,5-trimethyl-2-pyrrol-1-yl-thiophene-3-carboxamide Formula: C22H21N3O2S MolecularWeight: 391.48604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N(C)CC(=O)NC2=CC=CC(=C2)C#C)N3C=CC=C3)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)N(C)CC(=O)NC2=CC=CC(=C2)C#C)N3C=CC=C3)C

InChI

InChI=1S/C22H21N3O2S/c1-5-17-9-8-10-18(13-17)23-19(26)14-24(4)21(27)20-15(2)16(3)28-22(20)25-11-6-7-12-25/h1,6-13H,14H2,2-4H3,(H,23,26)