6-methyl-4-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-thiochromene-7-carboxylic acid

Systemtic Name: 6-methyl-4-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-thiochromene-7-carboxylic acid Openeye Name: 4-(benzyloxycarbonylamino)-6-methyl-thiochromane-7-carboxylic acid CAS Name: 6-methyl-4-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-1-benzothiopyran-7-carboxylic acid IUPAC Name: 6-methyl-4-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-thiochromene-7-carboxylic acid Traditional Name: 4-(benzyloxycarbonylamino)-6-methyl-thiochroman-7-carboxylic acid Formula: C19H19NO4S MolecularWeight: 357.42346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C(=O)O)SCCC2NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1C(=O)O)SCCC2NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C19H19NO4S/c1-12-9-15-16(7-8-25-17(15)10-14(12)18(21)22)20-19(23)24-11-13-5-3-2-4-6-13/h2-6,9-10,16H,7-8,11H2,1H3,(H,20,23)(H,21,22)