1-[1,3-benzothiazol-2-yl-(3-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1,3-benzothiazol-2-yl-(3-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl-(3-methyl-2-thienyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl-(3-methyl-2-thiophenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl-(3-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl-(3-methyl-2-thienyl)methyl]proline Formula: C18H18N2O2S2 MolecularWeight: 358.47772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(C2=NC3=CC=CC=C3S2)N4CCCC4C(=O)O

Isomeric SMILES

CC1=C(SC=C1)C(C2=NC3=CC=CC=C3S2)N4CCCC4C(=O)O

InChI

InChI=1S/C18H18N2O2S2/c1-11-8-10-23-16(11)15(20-9-4-6-13(20)18(21)22)17-19-12-5-2-3-7-14(12)24-17/h2-3,5,7-8,10,13,15H,4,6,9H2,1H3,(H,21,22)