phenanthridin-6-ylmethyl 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethanoate

Systemtic Name: phenanthridin-6-ylmethyl 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethanoate Openeye Name: phenanthridin-6-ylmethyl 2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetate CAS Name: 2-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]acetic acid 6-phenanthridinylmethyl ester IUPAC Name: phenanthridin-6-ylmethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate Traditional Name: 2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetic acid phenanthridin-6-ylmethyl ester Formula: C25H17ClN2O3S MolecularWeight: 460.93208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=CC=CC=C3N=C2COC(=O)CNC(=O)C4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3N=C2COC(=O)CNC(=O)C4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C25H17ClN2O3S/c26-23-18-10-4-6-12-21(18)32-24(23)25(30)27-13-22(29)31-14-20-17-9-2-1-7-15(17)16-8-3-5-11-19(16)28-20/h1-12H,13-14H2,(H,27,30)