methyl 2-[2-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: methyl 2-[2-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: methyl 2-[2-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[2-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl]thio]acetic acid methyl ester Formula: C15H18N2O3S2 MolecularWeight: 338.44502

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CSCC(=O)OC

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CSCC(=O)OC

InChI

InChI=1S/C15H18N2O3S2/c1-9-3-4-10-11(6-16)15(22-12(10)5-9)17-13(18)7-21-8-14(19)20-2/h9H,3-5,7-8H2,1-2H3,(H,17,18)