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

Systemtic Name: methyl 2-(4-chloranylbutanoylamino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-(4-chlorobutanoylamino)-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(4-chloro-1-oxobutyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(4-chlorobutanoylamino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(4-chlorobutanoylamino)-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C16H22ClNO3S MolecularWeight: 343.86878

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CCCCl

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CCCCl

InChI

InChI=1S/C16H22ClNO3S/c1-3-10-6-7-11-12(9-10)22-15(14(11)16(20)21-2)18-13(19)5-4-8-17/h10H,3-9H2,1-2H3,(H,18,19)