N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Openeye Name: N-[(3S)-1,1-dioxothiolan-3-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide CAS Name: N-[(3S)-1,1-dioxo-3-thiolanyl]-2-(1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[(3S)-1,1-dioxothiolan-3-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Traditional Name: N-[(3S)-1,1-diketothiolan-3-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Formula: C16H15N3O3S2 MolecularWeight: 361.4386

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1NC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1NC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

InChI

InChI=1S/C16H15N3O3S2/c20-15(17-12-5-8-24(21,22)10-12)11-3-4-13-14(9-11)23-16(18-13)19-6-1-2-7-19/h1-4,6-7,9,12H,5,8,10H2,(H,17,20)/t12-/m0/s1