[1-[(5-chloranylpyridin-2-yl)amino]-1-oxidanylidene-butan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [1-[(5-chloranylpyridin-2-yl)amino]-1-oxidanylidene-butan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: 1-[(5-chloro-2-pyridyl)carbamoyl]propyl 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [1-[(5-chloro-2-pyridinyl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(5-chloropyridin-2-yl)amino]-1-oxobutan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid 1-[(5-chloro-2-pyridyl)carbamoyl]propyl ester Formula: C18H19ClN2O3S MolecularWeight: 378.87306

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC=C(C=C1)Cl)OC(=O)C2=CC3=C(S2)CCCC3

Isomeric SMILES

CCC(C(=O)NC1=NC=C(C=C1)Cl)OC(=O)C2=CC3=C(S2)CCCC3

InChI

InChI=1S/C18H19ClN2O3S/c1-2-13(17(22)21-16-8-7-12(19)10-20-16)24-18(23)15-9-11-5-3-4-6-14(11)25-15/h7-10,13H,2-6H2,1H3,(H,20,21,22)