[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 4-(1,3-dithian-2-yl)benzoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 4-(1,3-dithian-2-yl)benzoate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] 4-(1,3-dithian-2-yl)benzoate CAS Name: 4-(1,3-dithian-2-yl)benzoic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] 4-(1,3-dithian-2-yl)benzoate Traditional Name: 4-(1,3-dithian-2-yl)benzoic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C20H21NO3S2 MolecularWeight: 387.51564

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1)C2=CC=C(C=C2)C(=O)OCC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1CSC(SC1)C2=CC=C(C=C2)C(=O)OCC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C20H21NO3S2/c22-18(21-13-15-5-2-1-3-6-15)14-24-19(23)16-7-9-17(10-8-16)20-25-11-4-12-26-20/h1-3,5-10,20H,4,11-14H2,(H,21,22)