ethyl 2-[2-[(4-methyl-2-oxidanylidene-chromen-7-yl)amino]ethanoylamino]-3-sulfanyl-propanoate

Systemtic Name: ethyl 2-[2-[(4-methyl-2-oxidanylidene-chromen-7-yl)amino]ethanoylamino]-3-sulfanyl-propanoate Openeye Name: ethyl 2-[[2-[(4-methyl-2-oxo-chromen-7-yl)amino]acetyl]amino]-3-sulfanyl-propanoate CAS Name: 3-mercapto-2-[[2-[(4-methyl-2-oxo-1-benzopyran-7-yl)amino]-1-oxoethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(4-methyl-2-oxochromen-7-yl)amino]acetyl]amino]-3-sulfanylpropanoate Traditional Name: 2-[[2-[(2-keto-4-methyl-chromen-7-yl)amino]acetyl]amino]-3-mercapto-propionic acid ethyl ester Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)NC(=O)CNC1=CC2=C(C=C1)C(=CC(=O)O2)C

Isomeric SMILES

CCOC(=O)C(CS)NC(=O)CNC1=CC2=C(C=C1)C(=CC(=O)O2)C

InChI

InChI=1S/C17H20N2O5S/c1-3-23-17(22)13(9-25)19-15(20)8-18-11-4-5-12-10(2)6-16(21)24-14(12)7-11/h4-7,13,18,25H,3,8-9H2,1-2H3,(H,19,20)