[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C17H14ClN3O3S MolecularWeight: 375.82936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)OCC(=O)N(CCC#N)CCC#N)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)OCC(=O)N(CCC#N)CCC#N)Cl

InChI

InChI=1S/C17H14ClN3O3S/c18-15-12-5-1-2-6-13(12)25-16(15)17(23)24-11-14(22)21(9-3-7-19)10-4-8-20/h1-2,5-6H,3-4,9-11H2