1-[(3S)-1,1-bis(oxidanylidene)-3-(phenylmethyl)-3H-1,2-benzothiazol-2-yl]prop-2-en-1-one

Systemtic Name: 1-[(3S)-1,1-bis(oxidanylidene)-3-(phenylmethyl)-3H-1,2-benzothiazol-2-yl]prop-2-en-1-one Openeye Name: 1-[(3S)-3-benzyl-1,1-dioxo-3H-1,2-benzothiazol-2-yl]prop-2-en-1-one CAS Name: 1-[(3S)-1,1-dioxo-3-(phenylmethyl)-3H-1,2-benzothiazol-2-yl]-2-propen-1-one IUPAC Name: 1-[(3S)-3-benzyl-1,1-dioxo-3H-1,2-benzothiazol-2-yl]prop-2-en-1-one Traditional Name: 1-[(3S)-3-benzyl-1,1-diketo-3H-1,2-benzothiazol-2-yl]prop-2-en-1-one Formula: C17H15NO3S MolecularWeight: 313.3709

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)N1C(C2=CC=CC=C2S1(=O)=O)CC3=CC=CC=C3

Isomeric SMILES

C=CC(=O)N1[C@H](C2=CC=CC=C2S1(=O)=O)CC3=CC=CC=C3

InChI

InChI=1S/C17H15NO3S/c1-2-17(19)18-15(12-13-8-4-3-5-9-13)14-10-6-7-11-16(14)22(18,20)21/h2-11,15H,1,12H2/t15-/m0/s1