ethyl 6-methyl-2-[[(E)-pyridin-3-ylmethylideneamino]carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6-methyl-2-[[(E)-pyridin-3-ylmethylideneamino]carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-methyl-2-[[(E)-3-pyridylmethyleneamino]carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[oxo-[(2E)-2-(3-pyridinylmethylidene)hydrazinyl]methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-2-[[(E)-pyridin-3-ylmethylideneamino]carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-[[(E)-3-pyridylmethyleneamino]carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C19H22N4O3S MolecularWeight: 386.46798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)NN=CC3=CN=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)N/N=C/C3=CN=CC=C3

InChI

InChI=1S/C19H22N4O3S/c1-3-26-18(24)16-14-7-6-12(2)9-15(14)27-17(16)22-19(25)23-21-11-13-5-4-8-20-10-13/h4-5,8,10-12H,3,6-7,9H2,1-2H3,(H2,22,23,25)/b21-11+