(6S)-3-[(2-azanyl-5-tert-butyl-1,3-benzothiazol-6-yl)sulfanyl]-6-phenethyl-6-propan-2-yl-oxane-2,4-dione

Systemtic Name: (6S)-3-[(2-azanyl-5-tert-butyl-1,3-benzothiazol-6-yl)sulfanyl]-6-phenethyl-6-propan-2-yl-oxane-2,4-dione Openeye Name: (6S)-3-[(2-amino-5-tert-butyl-1,3-benzothiazol-6-yl)sulfanyl]-6-isopropyl-6-phenethyl-tetrahydropyran-2,4-dione CAS Name: (6S)-3-[(2-amino-5-tert-butyl-1,3-benzothiazol-6-yl)thio]-6-phenethyl-6-propan-2-yloxane-2,4-dione IUPAC Name: (6S)-3-[(2-amino-5-tert-butyl-1,3-benzothiazol-6-yl)sulfanyl]-6-phenethyl-6-propan-2-yloxane-2,4-dione Traditional Name: (6S)-3-[(2-amino-5-tert-butyl-1,3-benzothiazol-6-yl)thio]-6-isopropyl-6-phenethyl-tetrahydropyran-2,4-quinone Formula: C27H32N2O3S2 MolecularWeight: 496.68458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(CC(=O)C(C(=O)O1)SC2=CC3=C(C=C2C(C)(C)C)N=C(S3)N)CCC4=CC=CC=C4

Isomeric SMILES

CC(C)[C@@]1(CC(=O)C(C(=O)O1)SC2=CC3=C(C=C2C(C)(C)C)N=C(S3)N)CCC4=CC=CC=C4

InChI

InChI=1S/C27H32N2O3S2/c1-16(2)27(12-11-17-9-7-6-8-10-17)15-20(30)23(24(31)32-27)33-21-14-22-19(29-25(28)34-22)13-18(21)26(3,4)5/h6-10,13-14,16,23H,11-12,15H2,1-5H3,(H2,28,29)/t23?,27-/m0/s1