methyl 6-[[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]-2-oxidanylidene-chromene-3-carboxylate

Systemtic Name: methyl 6-[[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]-2-oxidanylidene-chromene-3-carboxylate Openeye Name: methyl 2-oxo-6-[[(2S)-2-(p-tolylsulfonylamino)propanoyl]amino]chromene-3-carboxylate CAS Name: 6-[[(2S)-2-[(4-methylphenyl)sulfonylamino]-1-oxopropyl]amino]-2-oxo-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl 6-[[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]-2-oxochromene-3-carboxylate Traditional Name: 2-keto-6-[[(2S)-2-(tosylamino)propanoyl]amino]chromene-3-carboxylic acid methyl ester Formula: C21H20N2O7S MolecularWeight: 444.4577

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)NC2=CC3=C(C=C2)OC(=O)C(=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C)C(=O)NC2=CC3=C(C=C2)OC(=O)C(=C3)C(=O)OC

InChI

InChI=1S/C21H20N2O7S/c1-12-4-7-16(8-5-12)31(27,28)23-13(2)19(24)22-15-6-9-18-14(10-15)11-17(20(25)29-3)21(26)30-18/h4-11,13,23H,1-3H3,(H,22,24)/t13-/m0/s1