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

Systemtic Name: ethyl N-[[2-(2-methylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]carbonyl]carbamate Openeye Name: ethyl N-[2-(2-methylpropanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl]carbamate CAS Name: N-[[2-[(2-methyl-1-oxopropyl)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-oxomethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[2-(2-methylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]carbamate Traditional Name: N-[2-(isobutyrylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl]carbamic acid ethyl ester Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)C

Isomeric SMILES

CCOC(=O)NC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)C

InChI

InChI=1S/C16H22N2O4S/c1-4-22-16(21)18-14(20)12-10-7-5-6-8-11(10)23-15(12)17-13(19)9(2)3/h9H,4-8H2,1-3H3,(H,17,19)(H,18,20,21)