methyl N-[[2-(pentanoylamino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]carbonyl]carbamate

Systemtic Name: methyl N-[[2-(pentanoylamino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]carbonyl]carbamate Openeye Name: methyl N-[2-(pentanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl]carbamate CAS Name: N-[oxo-[2-(1-oxopentylamino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]carbamic acid methyl ester IUPAC Name: methyl N-[2-(pentanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]carbamate Traditional Name: N-[2-(valerylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl]carbamic acid methyl ester Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)NC(=O)OC

Isomeric SMILES

CCCCC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)NC(=O)OC

InChI

InChI=1S/C16H22N2O4S/c1-3-4-9-12(19)17-15-13(14(20)18-16(21)22-2)10-7-5-6-8-11(10)23-15/h3-9H2,1-2H3,(H,17,19)(H,18,20,21)