methyl 2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-(propanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-(1-oxopropylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-propionamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC

Isomeric SMILES

CCC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC

InChI

InChI=1S/C13H17NO3S/c1-3-10(15)14-12-11(13(16)17-2)8-6-4-5-7-9(8)18-12/h3-7H2,1-2H3,(H,14,15)