5,5-dimethyl-2-(2-oxidanylidene-2-phenylazanyl-ethyl)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid

Systemtic Name: 5,5-dimethyl-2-(2-oxidanylidene-2-phenylazanyl-ethyl)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid Openeye Name: 2-(2-anilino-2-oxo-ethyl)-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid CAS Name: 2-(2-anilino-2-oxoethyl)-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid IUPAC Name: 2-(2-anilino-2-oxoethyl)-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid Traditional Name: 2-(2-anilino-2-keto-ethyl)-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid Formula: C18H19NO4S MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(CO1)SC(=C2C(=O)O)CC(=O)NC3=CC=CC=C3)C

Isomeric SMILES

CC1(CC2=C(CO1)SC(=C2C(=O)O)CC(=O)NC3=CC=CC=C3)C

InChI

InChI=1S/C18H19NO4S/c1-18(2)9-12-14(10-23-18)24-13(16(12)17(21)22)8-15(20)19-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,19,20)(H,21,22)