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

Systemtic Name: 4-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-thiochromene-7-carboxylic acid Openeye Name: 4-(benzyloxycarbonylamino)thiochromane-7-carboxylic acid CAS Name: 4-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-1-benzothiopyran-7-carboxylic acid IUPAC Name: 4-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-thiochromene-7-carboxylic acid Traditional Name: 4-(benzyloxycarbonylamino)thiochroman-7-carboxylic acid Formula: C18H17NO4S MolecularWeight: 343.39688

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC(=O)OCC3=CC=CC=C3)C=CC(=C2)C(=O)O

Isomeric SMILES

C1CSC2=C(C1NC(=O)OCC3=CC=CC=C3)C=CC(=C2)C(=O)O

InChI

InChI=1S/C18H17NO4S/c20-17(21)13-6-7-14-15(8-9-24-16(14)10-13)19-18(22)23-11-12-4-2-1-3-5-12/h1-7,10,15H,8-9,11H2,(H,19,22)(H,20,21)