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

Systemtic Name: ethyl 2-(4-chloranylbutanoylamino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C17H24ClNO3S MolecularWeight: 357.89536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24ClNO3S/c1-3-11-7-8-12-13(10-11)23-16(15(12)17(21)22-4-2)19-14(20)6-5-9-18/h11H,3-10H2,1-2H3,(H,19,20)