2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-(5-methoxy-1H-indol-3-yl)ethanoic acid

Systemtic Name: 2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-(5-methoxy-1H-indol-3-yl)ethanoic acid Openeye Name: 2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-(5-methoxy-1H-indol-3-yl)acetic acid CAS Name: 2-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]-2-(5-methoxy-1H-indol-3-yl)acetic acid IUPAC Name: 2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-(5-methoxy-1H-indol-3-yl)acetic acid Traditional Name: 2-[4-(1,2-benzothiazol-3-yl)piperazino]-2-(5-methoxy-1H-indol-3-yl)acetic acid Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC=C2C(C(=O)O)N3CCN(CC3)C4=NSC5=CC=CC=C54

Isomeric SMILES

COC1=CC2=C(C=C1)NC=C2C(C(=O)O)N3CCN(CC3)C4=NSC5=CC=CC=C54

InChI

InChI=1S/C22H22N4O3S/c1-29-14-6-7-18-16(12-14)17(13-23-18)20(22(27)28)25-8-10-26(11-9-25)21-15-4-2-3-5-19(15)30-24-21/h2-7,12-13,20,23H,8-11H2,1H3,(H,27,28)