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

Systemtic Name: 5,5-dimethyl-2-(phenylcarbamothioylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid Openeye Name: 5,5-dimethyl-2-(phenylcarbamothioylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid CAS Name: 2-[[anilino(sulfanylidene)methyl]amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid IUPAC Name: 5,5-dimethyl-2-(phenylcarbamothioylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid Traditional Name: 5,5-dimethyl-2-(phenylthiocarbamoylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid Formula: C17H18N2O3S2 MolecularWeight: 362.46642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O3S2/c1-17(2)8-11-12(9-22-17)24-14(13(11)15(20)21)19-16(23)18-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,20,21)(H2,18,19,23)