(2-azanyl-2-methyl-propanoyl) 2-methylidene-4-[(9-oxidanylidene-2-sulfanylidene-3H-xanthen-1-yl)oxy]butanoate

Systemtic Name: (2-azanyl-2-methyl-propanoyl) 2-methylidene-4-[(9-oxidanylidene-2-sulfanylidene-3H-xanthen-1-yl)oxy]butanoate Openeye Name: (2-amino-2-methyl-propanoyl) 2-methylene-4-[(9-oxo-2-thioxo-3H-xanthen-1-yl)oxy]butanoate CAS Name: 2-methylene-4-[(9-oxo-2-sulfanylidene-3H-xanthen-1-yl)oxy]butanoic acid (2-amino-2-methyl-1-oxopropyl) ester IUPAC Name: (2-amino-2-methylpropanoyl) 2-methylidene-4-[(9-oxo-2-sulfanylidene-3H-xanthen-1-yl)oxy]butanoate Traditional Name: 2-[2-[(9-keto-2-thioxo-3H-xanthen-1-yl)oxy]ethyl]acrylic acid (2-amino-2-methyl-propanoyl) ester Formula: C22H21NO6S MolecularWeight: 427.47024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OC(=O)C(=C)CCOC1=C2C(=CCC1=S)OC3=CC=CC=C3C2=O)N

Isomeric SMILES

CC(C)(C(=O)OC(=O)C(=C)CCOC1=C2C(=CCC1=S)OC3=CC=CC=C3C2=O)N

InChI

InChI=1S/C22H21NO6S/c1-12(20(25)29-21(26)22(2,3)23)10-11-27-19-16(30)9-8-15-17(19)18(24)13-6-4-5-7-14(13)28-15/h4-8H,1,9-11,23H2,2-3H3