2-[(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-(4-methyl-1,3-thiazol-2-yl)amino]ethanoic acid

Systemtic Name: 2-[(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-(4-methyl-1,3-thiazol-2-yl)amino]ethanoic acid Openeye Name: 2-[(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-(4-methylthiazol-2-yl)amino]acetic acid CAS Name: 2-[(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-(4-methyl-2-thiazolyl)amino]acetic acid IUPAC Name: 2-[(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-(4-methyl-1,3-thiazol-2-yl)amino]acetic acid Traditional Name: 2-[(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-(4-methylthiazol-2-yl)amino]acetic acid Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)N(CC(=O)O)C2C(C(OC3=C2C=C(C=C3)C#N)(C)C)O

Isomeric SMILES

CC1=CSC(=N1)N(CC(=O)O)C2C(C(OC3=C2C=C(C=C3)C#N)(C)C)O

InChI

InChI=1S/C18H19N3O4S/c1-10-9-26-17(20-10)21(8-14(22)23)15-12-6-11(7-19)4-5-13(12)25-18(2,3)16(15)24/h4-6,9,15-16,24H,8H2,1-3H3,(H,22,23)