methyl 2-[2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]-5-morpholin-4-yl-benzoate

Systemtic Name: methyl 2-[2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]-5-morpholin-4-yl-benzoate Openeye Name: methyl 2-[[2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanylacetyl]amino]-5-morpholino-benzoate CAS Name: 2-[[2-[[2-(3-methylanilino)-2-oxoethyl]thio]-1-oxoethyl]amino]-5-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]-5-morpholin-4-ylbenzoate Traditional Name: 2-[[2-[[2-keto-2-(m-toluidino)ethyl]thio]acetyl]amino]-5-morpholino-benzoic acid methyl ester Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSCC(=O)NC2=C(C=C(C=C2)N3CCOCC3)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSCC(=O)NC2=C(C=C(C=C2)N3CCOCC3)C(=O)OC

InChI

InChI=1S/C23H27N3O5S/c1-16-4-3-5-17(12-16)24-21(27)14-32-15-22(28)25-20-7-6-18(13-19(20)23(29)30-2)26-8-10-31-11-9-26/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,24,27)(H,25,28)