O4-(1,3-benzothiazol-2-ylsulfanyl) O1-propan-2-yl 2-propan-2-ylbutanedioate

Systemtic Name: O4-(1,3-benzothiazol-2-ylsulfanyl) O1-propan-2-yl 2-propan-2-ylbutanedioate Openeye Name: O4-(1,3-benzothiazol-2-ylsulfanyl) O1-isopropyl 2-isopropylbutanedioate CAS Name: 2-propan-2-ylbutanedioic acid O4-(1,3-benzothiazol-2-ylthio) ester O1-propan-2-yl ester IUPAC Name: 4-O-(1,3-benzothiazol-2-ylsulfanyl) 1-O-propan-2-yl 2-propan-2-ylbutanedioate Traditional Name: 2-isopropylsuccinic acid O4-(1,3-benzothiazol-2-ylthio) ester O1-isopropyl ester Formula: C17H21NO4S2 MolecularWeight: 367.48294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(=O)OSC1=NC2=CC=CC=C2S1)C(=O)OC(C)C

Isomeric SMILES

CC(C)C(CC(=O)OSC1=NC2=CC=CC=C2S1)C(=O)OC(C)C

InChI

InChI=1S/C17H21NO4S2/c1-10(2)12(16(20)21-11(3)4)9-15(19)22-24-17-18-13-7-5-6-8-14(13)23-17/h5-8,10-12H,9H2,1-4H3