methyl 1-[3-[4-(1,3-benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl]pyrrolidine-3-carboxylate

Systemtic Name: methyl 1-[3-[4-(1,3-benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl]pyrrolidine-3-carboxylate Openeye Name: methyl 1-[3-[4-(1,3-benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl]pyrrolidine-3-carboxylate CAS Name: 1-[3-[4-(1,3-benzothiazol-2-ylamino)phenoxy]-2-pyrazinyl]-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-[4-(1,3-benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl]pyrrolidine-3-carboxylate Traditional Name: 1-[3-[4-(1,3-benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl]pyrrolidine-3-carboxylic acid methyl ester Formula: C23H21N5O3S MolecularWeight: 447.50954

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(C1)C2=NC=CN=C2OC3=CC=C(C=C3)NC4=NC5=CC=CC=C5S4

Isomeric SMILES

COC(=O)C1CCN(C1)C2=NC=CN=C2OC3=CC=C(C=C3)NC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H21N5O3S/c1-30-22(29)15-10-13-28(14-15)20-21(25-12-11-24-20)31-17-8-6-16(7-9-17)26-23-27-18-4-2-3-5-19(18)32-23/h2-9,11-12,15H,10,13-14H2,1H3,(H,26,27)