ethyl 2-[(2-nitro-1-benzothiophen-3-yl)-(2-pyrrolidin-1-ylethyl)amino]-2-oxidanylidene-ethanoate

Systemtic Name: ethyl 2-[(2-nitro-1-benzothiophen-3-yl)-(2-pyrrolidin-1-ylethyl)amino]-2-oxidanylidene-ethanoate Openeye Name: ethyl 2-[(2-nitrobenzothiophen-3-yl)-(2-pyrrolidin-1-ylethyl)amino]-2-oxo-acetate CAS Name: 2-[(2-nitro-1-benzothiophen-3-yl)-[2-(1-pyrrolidinyl)ethyl]amino]-2-oxoacetic acid ethyl ester IUPAC Name: ethyl 2-[(2-nitro-1-benzothiophen-3-yl)-(2-pyrrolidin-1-ylethyl)amino]-2-oxoacetate Traditional Name: 2-keto-2-[(2-nitrobenzothiophen-3-yl)-(2-pyrrolidinoethyl)amino]acetic acid ethyl ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)N(CCN1CCCC1)C2=C(SC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(=O)N(CCN1CCCC1)C2=C(SC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O5S/c1-2-26-18(23)16(22)20(12-11-19-9-5-6-10-19)15-13-7-3-4-8-14(13)27-17(15)21(24)25/h3-4,7-8H,2,5-6,9-12H2,1H3