2-[(3-methoxycarbonyl-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)carbamoyl]benzoic acid

Systemtic Name: 2-[(3-methoxycarbonyl-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)carbamoyl]benzoic acid Openeye Name: 2-[(3-methoxycarbonyl-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)carbamoyl]benzoic acid CAS Name: 2-[[(3-methoxycarbonyl-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)amino]-oxomethyl]benzoic acid IUPAC Name: 2-[(3-methoxycarbonyl-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)carbamoyl]benzoic acid Traditional Name: 2-[(3-carbomethoxy-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)carbamoyl]benzoic acid Formula: C19H19NO6S MolecularWeight: 389.42226

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(CO1)SC(=C2C(=O)OC)NC(=O)C3=CC=CC=C3C(=O)O)C

Isomeric SMILES

CC1(CC2=C(CO1)SC(=C2C(=O)OC)NC(=O)C3=CC=CC=C3C(=O)O)C

InChI

InChI=1S/C19H19NO6S/c1-19(2)8-12-13(9-26-19)27-16(14(12)18(24)25-3)20-15(21)10-6-4-5-7-11(10)17(22)23/h4-7H,8-9H2,1-3H3,(H,20,21)(H,22,23)