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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)NN=CC3=CN=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)NN=CC3=CN=CC=C3

InChI

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