naphthalen-1-ylmethyl 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propanoate

Systemtic Name: naphthalen-1-ylmethyl 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propanoate Openeye Name: 1-naphthylmethyl 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoate CAS Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoic acid 1-naphthalenylmethyl ester IUPAC Name: naphthalen-1-ylmethyl 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoate Traditional Name: 3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]propionic acid 1-naphthylmethyl ester Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2COC(=O)CCNC3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2COC(=O)CCNC3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H18N2O4S/c24-20(27-14-16-8-5-7-15-6-1-2-9-17(15)16)12-13-22-21-18-10-3-4-11-19(18)28(25,26)23-21/h1-11H,12-14H2,(H,22,23)