(1-cyanoindolizin-2-yl)methyl 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethanoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethanoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetate CAS Name: 2-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]acetic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate Traditional Name: 2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C21H14ClN3O3S MolecularWeight: 423.87216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)NCC(=O)OCC3=CN4C=CC=CC4=C3C#N)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)NCC(=O)OCC3=CN4C=CC=CC4=C3C#N)Cl

InChI

InChI=1S/C21H14ClN3O3S/c22-19-14-5-1-2-7-17(14)29-20(19)21(27)24-10-18(26)28-12-13-11-25-8-4-3-6-16(25)15(13)9-23/h1-8,11H,10,12H2,(H,24,27)