4-[3-(2-methylpropoxy)-2-pyrrolidin-1-yl-propyl]-3-(4-propoxyphenyl)-2,3-dihydro-1,4-benzothiazine

Systemtic Name: 4-[3-(2-methylpropoxy)-2-pyrrolidin-1-yl-propyl]-3-(4-propoxyphenyl)-2,3-dihydro-1,4-benzothiazine Openeye Name: 4-(3-isobutoxy-2-pyrrolidin-1-yl-propyl)-3-(4-propoxyphenyl)-2,3-dihydro-1,4-benzothiazine CAS Name: 4-[3-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl]-3-(4-propoxyphenyl)-2,3-dihydro-1,4-benzothiazine IUPAC Name: 4-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-3-(4-propoxyphenyl)-2,3-dihydro-1,4-benzothiazine Traditional Name: 4-(3-isobutoxy-2-pyrrolidino-propyl)-3-(4-propoxyphenyl)-2,3-dihydro-1,4-benzothiazine Formula: C28H40N2O2S MolecularWeight: 468.6944

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2CSC3=CC=CC=C3N2CC(COCC(C)C)N4CCCC4

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2CSC3=CC=CC=C3N2CC(COCC(C)C)N4CCCC4

InChI

InChI=1S/C28H40N2O2S/c1-4-17-32-25-13-11-23(12-14-25)27-21-33-28-10-6-5-9-26(28)30(27)18-24(20-31-19-22(2)3)29-15-7-8-16-29/h5-6,9-14,22,24,27H,4,7-8,15-21H2,1-3H3