(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(phenylmethyl)amino]-1,3-thiazole-4-carboxylate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(phenylmethyl)amino]-1,3-thiazole-4-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(benzylamino)thiazole-4-carboxylate CAS Name: 2-[(phenylmethyl)amino]-4-thiazolecarboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(benzylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(benzylamino)thiazole-4-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H17N3O6S MolecularWeight: 427.43048

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CSC(=N3)NCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CSC(=N3)NCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O6S/c24-19(17-11-30-20(22-17)21-8-13-4-2-1-3-5-13)28-10-15-7-16(23(25)26)6-14-9-27-12-29-18(14)15/h1-7,11H,8-10,12H2,(H,21,22)