3-(2-azanyl-1,3-benzothiazol-6-yl)-2-(4-butoxyphenyl)propanoic acid

Systemtic Name: 3-(2-azanyl-1,3-benzothiazol-6-yl)-2-(4-butoxyphenyl)propanoic acid Openeye Name: 3-(2-amino-1,3-benzothiazol-6-yl)-2-(4-butoxyphenyl)propanoic acid CAS Name: 3-(2-amino-1,3-benzothiazol-6-yl)-2-(4-butoxyphenyl)propanoic acid IUPAC Name: 3-(2-amino-1,3-benzothiazol-6-yl)-2-(4-butoxyphenyl)propanoic acid Traditional Name: 3-(2-amino-1,3-benzothiazol-6-yl)-2-(4-butoxyphenyl)propionic acid Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(CC2=CC3=C(C=C2)N=C(S3)N)C(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(CC2=CC3=C(C=C2)N=C(S3)N)C(=O)O

InChI

InChI=1S/C20H22N2O3S/c1-2-3-10-25-15-7-5-14(6-8-15)16(19(23)24)11-13-4-9-17-18(12-13)26-20(21)22-17/h4-9,12,16H,2-3,10-11H2,1H3,(H2,21,22)(H,23,24)