S-(thiophen-2-ylmethyl) 2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1,3-thiazole-4-carbothioate

Systemtic Name: S-(thiophen-2-ylmethyl) 2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1,3-thiazole-4-carbothioate Openeye Name: S-(2-thienylmethyl) 2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]thiazole-4-carbothioate CAS Name: 2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-4-thiazolecarbothioic acid S-(thiophen-2-ylmethyl) ester IUPAC Name: S-(thiophen-2-ylmethyl) 2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1,3-thiazole-4-carbothioate Traditional Name: 2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]thiazole-4-carbothioic acid S-(2-thenyl) ester Formula: C17H13NO3S3 MolecularWeight: 375.48502

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C3=NC(=CS3)C(=O)SCC4=CC=CS4

Isomeric SMILES

C1[C@H](OC2=CC=CC=C2O1)C3=NC(=CS3)C(=O)SCC4=CC=CS4

InChI

InChI=1S/C17H13NO3S3/c19-17(24-9-11-4-3-7-22-11)12-10-23-16(18-12)15-8-20-13-5-1-2-6-14(13)21-15/h1-7,10,15H,8-9H2/t15-/m0/s1