ethyl N-[[(2S)-2-[(2-methyl-3-oxidanyl-phenyl)carbonylamino]-4-methylsulfanyl-butanoyl]-phenyl-amino]carbamate

Systemtic Name: ethyl N-[[(2S)-2-[(2-methyl-3-oxidanyl-phenyl)carbonylamino]-4-methylsulfanyl-butanoyl]-phenyl-amino]carbamate Openeye Name: ethyl N-(N-[(2S)-2-[(3-hydroxy-2-methyl-benzoyl)amino]-4-methylsulfanyl-butanoyl]anilino)carbamate CAS Name: N-(N-[(2S)-2-[[(3-hydroxy-2-methylphenyl)-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]anilino)carbamic acid ethyl ester IUPAC Name: ethyl N-(N-[(2S)-2-[(3-hydroxy-2-methylbenzoyl)amino]-4-methylsulfanylbutanoyl]anilino)carbamate Traditional Name: N-(N-[(2S)-2-[(3-hydroxy-2-methyl-benzoyl)amino]-4-(methylthio)butanoyl]anilino)carbamic acid ethyl ester Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NN(C1=CC=CC=C1)C(=O)C(CCSC)NC(=O)C2=C(C(=CC=C2)O)C

Isomeric SMILES

CCOC(=O)NN(C1=CC=CC=C1)C(=O)[C@H](CCSC)NC(=O)C2=C(C(=CC=C2)O)C

InChI

InChI=1S/C22H27N3O5S/c1-4-30-22(29)24-25(16-9-6-5-7-10-16)21(28)18(13-14-31-3)23-20(27)17-11-8-12-19(26)15(17)2/h5-12,18,26H,4,13-14H2,1-3H3,(H,23,27)(H,24,29)/t18-/m0/s1