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

Systemtic Name: 5,5-dimethyl-2-(2-phenylethanoylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid Openeye Name: 5,5-dimethyl-2-[(2-phenylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid CAS Name: 5,5-dimethyl-2-[(1-oxo-2-phenylethyl)amino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid IUPAC Name: 5,5-dimethyl-2-[(2-phenylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid Traditional Name: 5,5-dimethyl-2-[(2-phenylacetyl)amino]-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)NC(=O)CC3=CC=CC=C3)C

Isomeric SMILES

CC1(CC2=C(CO1)SC(=C2C(=O)O)NC(=O)CC3=CC=CC=C3)C

InChI

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