[1-[(3-methylpyridin-2-yl)amino]-1-oxidanylidene-butan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [1-[(3-methylpyridin-2-yl)amino]-1-oxidanylidene-butan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: 1-[(3-methyl-2-pyridyl)carbamoyl]propyl 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [1-[(3-methyl-2-pyridinyl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(3-methylpyridin-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-[(3-methyl-2-pyridyl)carbamoyl]propyl ester Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC=N1)C)OC(=O)C2=CC3=C(S2)CCCC3

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC=N1)C)OC(=O)C2=CC3=C(S2)CCCC3

InChI

InChI=1S/C19H22N2O3S/c1-3-14(18(22)21-17-12(2)7-6-10-20-17)24-19(23)16-11-13-8-4-5-9-15(13)25-16/h6-7,10-11,14H,3-5,8-9H2,1-2H3,(H,20,21,22)