ethyl 8-(azepan-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-6-ethyl-7-oxidanyl-4-oxidanylidene-chromene-2-carboxylate

Systemtic Name: ethyl 8-(azepan-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-6-ethyl-7-oxidanyl-4-oxidanylidene-chromene-2-carboxylate Openeye Name: ethyl 8-(azepan-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-4-oxo-chromene-2-carboxylate CAS Name: 8-(1-azepanylmethyl)-3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 8-(azepan-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylate Traditional Name: 8-(azepan-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-4-keto-chromene-2-carboxylic acid ethyl ester Formula: C28H30N2O5S MolecularWeight: 506.6132

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(=O)OCC)C3=NC4=CC=CC=C4S3)CN5CCCCCC5)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(=O)OCC)C3=NC4=CC=CC=C4S3)CN5CCCCCC5)O

InChI

InChI=1S/C28H30N2O5S/c1-3-17-15-18-24(32)22(27-29-20-11-7-8-12-21(20)36-27)26(28(33)34-4-2)35-25(18)19(23(17)31)16-30-13-9-5-6-10-14-30/h7-8,11-12,15,31H,3-6,9-10,13-14,16H2,1-2H3