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

Systemtic Name: methyl 6-methyl-2-(pentanoylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-methyl-2-(pentanoylcarbamothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[(1-oxopentylamino)-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-methyl-2-(pentanoylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-(valerylthiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C17H24N2O3S2 MolecularWeight: 368.51406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=C(C2=C(S1)CC(CC2)C)C(=O)OC

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=C(C2=C(S1)CC(CC2)C)C(=O)OC

InChI

InChI=1S/C17H24N2O3S2/c1-4-5-6-13(20)18-17(23)19-15-14(16(21)22-3)11-8-7-10(2)9-12(11)24-15/h10H,4-9H2,1-3H3,(H2,18,19,20,23)