methyl 6-methyl-2-[2-(3-oxidanylidenepiperazin-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 6-methyl-2-[2-(3-oxidanylidenepiperazin-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-methyl-2-[[2-(3-oxopiperazin-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[1-oxo-2-(3-oxo-1-piperazinyl)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-methyl-2-[[2-(3-oxopiperazin-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(3-ketopiperazino)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C17H23N3O4S MolecularWeight: 365.44722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CN3CCNC(=O)C3

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CN3CCNC(=O)C3

InChI

InChI=1S/C17H23N3O4S/c1-10-3-4-11-12(7-10)25-16(15(11)17(23)24-2)19-14(22)9-20-6-5-18-13(21)8-20/h10H,3-9H2,1-2H3,(H,18,21)(H,19,22)