ethyl 2-[(3-ethanoyl-7-oxidanyl-2-oxidanylidene-chromen-5-yl)methylamino]-3-sulfanyl-propanoate

Systemtic Name: ethyl 2-[(3-ethanoyl-7-oxidanyl-2-oxidanylidene-chromen-5-yl)methylamino]-3-sulfanyl-propanoate Openeye Name: ethyl 2-[(3-acetyl-7-hydroxy-2-oxo-chromen-5-yl)methylamino]-3-sulfanyl-propanoate CAS Name: 2-[(3-acetyl-7-hydroxy-2-oxo-1-benzopyran-5-yl)methylamino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl 2-[(3-acetyl-7-hydroxy-2-oxochromen-5-yl)methylamino]-3-sulfanylpropanoate Traditional Name: 2-[(3-acetyl-7-hydroxy-2-keto-chromen-5-yl)methylamino]-3-mercapto-propionic acid ethyl ester Formula: C17H19NO6S MolecularWeight: 365.40086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)NCC1=CC(=CC2=C1C=C(C(=O)O2)C(=O)C)O

Isomeric SMILES

CCOC(=O)C(CS)NCC1=CC(=CC2=C1C=C(C(=O)O2)C(=O)C)O

InChI

InChI=1S/C17H19NO6S/c1-3-23-17(22)14(8-25)18-7-10-4-11(20)5-15-13(10)6-12(9(2)19)16(21)24-15/h4-6,14,18,20,25H,3,7-8H2,1-2H3