methyl 2-[(1-ethylpyrazol-3-yl)carbonylamino]-7-methoxy-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate

Systemtic Name: methyl 2-[(1-ethylpyrazol-3-yl)carbonylamino]-7-methoxy-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate Openeye Name: methyl 2-[(1-ethylpyrazole-3-carbonyl)amino]-7-methoxy-4,5-dihydrobenzo[e]benzothiophene-1-carboxylate CAS Name: 2-[[(1-ethyl-3-pyrazolyl)-oxomethyl]amino]-7-methoxy-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylic acid methyl ester IUPAC Name: methyl 2-[(1-ethylpyrazole-3-carbonyl)amino]-7-methoxy-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate Traditional Name: 2-[(1-ethylpyrazole-3-carbonyl)amino]-7-methoxy-4,5-dihydrobenzo[e]benzothiophene-1-carboxylic acid methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC(=N1)C(=O)NC2=C(C3=C(S2)CCC4=C3C=CC(=C4)OC)C(=O)OC

Isomeric SMILES

CCN1C=CC(=N1)C(=O)NC2=C(C3=C(S2)CCC4=C3C=CC(=C4)OC)C(=O)OC

InChI

InChI=1S/C21H21N3O4S/c1-4-24-10-9-15(23-24)19(25)22-20-18(21(26)28-3)17-14-7-6-13(27-2)11-12(14)5-8-16(17)29-20/h6-7,9-11H,4-5,8H2,1-3H3,(H,22,25)