ethyl (6S)-2-[2-(3-methoxy-3-oxidanylidene-propyl)sulfanylethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl (6S)-2-[2-(3-methoxy-3-oxidanylidene-propyl)sulfanylethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl (6S)-2-[[2-(3-methoxy-3-oxo-propyl)sulfanylacetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-2-[[2-[(3-methoxy-3-oxopropyl)thio]-1-oxoethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-2-[[2-(3-methoxy-3-oxopropyl)sulfanylacetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-2-[[2-[(3-keto-3-methoxy-propyl)thio]acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C18H25NO5S2 MolecularWeight: 399.5248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CSCCC(=O)OC

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC[C@@H](C2)C)NC(=O)CSCCC(=O)OC

InChI

InChI=1S/C18H25NO5S2/c1-4-24-18(22)16-12-6-5-11(2)9-13(12)26-17(16)19-14(20)10-25-8-7-15(21)23-3/h11H,4-10H2,1-3H3,(H,19,20)/t11-/m0/s1