methyl 3-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[(2-indan-5-ylsulfanylacetyl)amino]-4-methyl-benzoate CAS Name: 3-[[2-(2,3-dihydro-1H-inden-5-ylthio)-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-(indan-5-ylthio)acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=CC3=C(CCC3)C=C2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C20H21NO3S/c1-13-6-7-16(20(23)24-2)11-18(13)21-19(22)12-25-17-9-8-14-4-3-5-15(14)10-17/h6-11H,3-5,12H2,1-2H3,(H,21,22)