3-(1,3-benzothiazol-2-yl)-6-ethyl-7-oxidanyl-2-propan-2-yl-8-(pyrrolidin-1-ylmethyl)chromen-4-one

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-oxidanyl-2-propan-2-yl-8-(pyrrolidin-1-ylmethyl)chromen-4-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-2-isopropyl-8-(pyrrolidin-1-ylmethyl)chromen-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-2-propan-2-yl-8-(1-pyrrolidinylmethyl)-1-benzopyran-4-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-2-propan-2-yl-8-(pyrrolidin-1-ylmethyl)chromen-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-2-isopropyl-8-(pyrrolidinomethyl)chromone Formula: C26H28N2O3S MolecularWeight: 448.57712

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(C)C)C3=NC4=CC=CC=C4S3)CN5CCCC5)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(C)C)C3=NC4=CC=CC=C4S3)CN5CCCC5)O

InChI

InChI=1S/C26H28N2O3S/c1-4-16-13-17-23(30)21(26-27-19-9-5-6-10-20(19)32-26)24(15(2)3)31-25(17)18(22(16)29)14-28-11-7-8-12-28/h5-6,9-10,13,15,29H,4,7-8,11-12,14H2,1-3H3