2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: 2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: 2-[[5-(4-pyridyl)-1,3,4-thiadiazol-2-yl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate IUPAC Name: 2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[5-(4-pyridyl)-1,3,4-thiadiazol-2-yl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Formula: C16H13N4O2S2- MolecularWeight: 357.43002

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC3=NN=C(S3)C4=CC=NC=C4)C(=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC3=NN=C(S3)C4=CC=NC=C4)C(=O)[O-]

InChI

InChI=1S/C16H14N4O2S2/c21-15(22)12-10-3-1-2-4-11(10)23-14(12)18-16-20-19-13(24-16)9-5-7-17-8-6-9/h5-8H,1-4H2,(H,18,20)(H,21,22)/p-1