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

Systemtic Name: ethyl 2-[[(E)-pyridin-2-ylmethylideneamino]carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-2-pyridylmethyleneamino]carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[oxo-[(2E)-2-(2-pyridinylmethylidene)hydrazinyl]methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-pyridin-2-ylmethylideneamino]carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(E)-2-pyridylmethyleneamino]carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C18H20N4O3S MolecularWeight: 372.4414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)NN=CC3=CC=CC=N3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)N/N=C/C3=CC=CC=N3

InChI

InChI=1S/C18H20N4O3S/c1-2-25-17(23)15-13-8-3-4-9-14(13)26-16(15)21-18(24)22-20-11-12-7-5-6-10-19-12/h5-7,10-11H,2-4,8-9H2,1H3,(H2,21,22,24)/b20-11+