3-[(S)-(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-thiomorpholin-4-yl-methyl]-7-methoxy-1H-quinolin-2-one

Systemtic Name: 3-[(S)-(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-thiomorpholin-4-yl-methyl]-7-methoxy-1H-quinolin-2-one Openeye Name: 3-[(S)-(1-tert-butyltetrazol-5-yl)-thiomorpholino-methyl]-7-methoxy-1H-quinolin-2-one CAS Name: 3-[(S)-(1-tert-butyl-5-tetrazolyl)-thiomorpholin-4-ylmethyl]-7-methoxy-1H-quinolin-2-one IUPAC Name: 3-[(S)-(1-tert-butyltetrazol-5-yl)-thiomorpholin-4-ylmethyl]-7-methoxy-1H-quinolin-2-one Traditional Name: 3-[(S)-(1-tert-butyltetrazol-5-yl)-thiomorpholino-methyl]-7-methoxy-carbostyril Formula: C20H26N6O2S MolecularWeight: 414.52444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=NN=N1)C(C2=CC3=C(C=C(C=C3)OC)NC2=O)N4CCSCC4

Isomeric SMILES

CC(C)(C)N1C(=NN=N1)[C@H](C2=CC3=C(C=C(C=C3)OC)NC2=O)N4CCSCC4

InChI

InChI=1S/C20H26N6O2S/c1-20(2,3)26-18(22-23-24-26)17(25-7-9-29-10-8-25)15-11-13-5-6-14(28-4)12-16(13)21-19(15)27/h5-6,11-12,17H,7-10H2,1-4H3,(H,21,27)/t17-/m0/s1