2-[[8-methoxy-3-methyl-1,4-bis(oxidanylidene)naphthalen-2-yl]amino]ethyl (2R)-2-acetamido-3-sulfanyl-propanoate

Systemtic Name: 2-[[8-methoxy-3-methyl-1,4-bis(oxidanylidene)naphthalen-2-yl]amino]ethyl (2R)-2-acetamido-3-sulfanyl-propanoate Openeye Name: 2-[(8-methoxy-3-methyl-1,4-dioxo-2-naphthyl)amino]ethyl (2R)-2-acetamido-3-sulfanyl-propanoate CAS Name: (2R)-2-acetamido-3-mercaptopropanoic acid 2-[(8-methoxy-3-methyl-1,4-dioxo-2-naphthalenyl)amino]ethyl ester IUPAC Name: 2-[(8-methoxy-3-methyl-1,4-dioxonaphthalen-2-yl)amino]ethyl (2R)-2-acetamido-3-sulfanylpropanoate Traditional Name: (2R)-2-acetamido-3-mercapto-propionic acid 2-[(1,4-diketo-8-methoxy-3-methyl-2-naphthyl)amino]ethyl ester Formula: C19H22N2O6S MolecularWeight: 406.45278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(C1=O)C=CC=C2OC)NCCOC(=O)C(CS)NC(=O)C

Isomeric SMILES

CC1=C(C(=O)C2=C(C1=O)C=CC=C2OC)NCCOC(=O)[C@H](CS)NC(=O)C

InChI

InChI=1S/C19H22N2O6S/c1-10-16(20-7-8-27-19(25)13(9-28)21-11(2)22)18(24)15-12(17(10)23)5-4-6-14(15)26-3/h4-6,13,20,28H,7-9H2,1-3H3,(H,21,22)/t13-/m0/s1