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

Systemtic Name: 6-chloranyl-4-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-thiochromene-7-carboxylic acid Openeye Name: 4-(benzyloxycarbonylamino)-6-chloro-thiochromane-7-carboxylic acid CAS Name: 6-chloro-4-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-1-benzothiopyran-7-carboxylic acid IUPAC Name: 6-chloro-4-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-thiochromene-7-carboxylic acid Traditional Name: 4-(benzyloxycarbonylamino)-6-chloro-thiochroman-7-carboxylic acid Formula: C18H16ClNO4S MolecularWeight: 377.84194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClNO4S/c19-14-8-13-15(6-7-25-16(13)9-12(14)17(21)22)20-18(23)24-10-11-4-2-1-3-5-11/h1-5,8-9,15H,6-7,10H2,(H,20,23)(H,21,22)