3-(3,4-dihydro-2H-thiochromen-4-ylamino)-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-(3,4-dihydro-2H-thiochromen-4-ylamino)-3-thiophen-2-yl-propanoic acid Openeye Name: 3-(2-thienyl)-3-(thiochroman-4-ylamino)propanoic acid CAS Name: 3-(3,4-dihydro-2H-1-benzothiopyran-4-ylamino)-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-(3,4-dihydro-2H-thiochromen-4-ylamino)-3-thiophen-2-ylpropanoic acid Traditional Name: 3-(2-thienyl)-3-(thiochroman-4-ylamino)propionic acid Formula: C16H17NO2S2 MolecularWeight: 319.44168

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2C1NC(CC(=O)O)C3=CC=CS3

Isomeric SMILES

C1CSC2=CC=CC=C2C1NC(CC(=O)O)C3=CC=CS3

InChI

InChI=1S/C16H17NO2S2/c18-16(19)10-13(15-6-3-8-20-15)17-12-7-9-21-14-5-2-1-4-11(12)14/h1-6,8,12-13,17H,7,9-10H2,(H,18,19)