ethyl 2-(phenazin-1-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-(phenazin-1-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-(phenazine-1-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[oxo(1-phenazinyl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(phenazine-1-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(phenazine-1-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C24H21N3O3S MolecularWeight: 431.50684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=CC4=NC5=CC=CC=C5N=C43

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=CC4=NC5=CC=CC=C5N=C43

InChI

InChI=1S/C24H21N3O3S/c1-2-30-24(29)20-14-8-3-6-13-19(14)31-23(20)27-22(28)15-9-7-12-18-21(15)26-17-11-5-4-10-16(17)25-18/h4-5,7,9-12H,2-3,6,8,13H2,1H3,(H,27,28)