[1-(2-diethylaminoethylamino)-9-oxidanylidene-thioxanthen-4-yl]methyl 4-methoxybenzoate

Systemtic Name: [1-(2-diethylaminoethylamino)-9-oxidanylidene-thioxanthen-4-yl]methyl 4-methoxybenzoate Openeye Name: [1-(2-diethylaminoethylamino)-9-oxo-thioxanthen-4-yl]methyl 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [1-(2-diethylaminoethylamino)-9-oxo-4-thioxanthenyl]methyl ester IUPAC Name: [1-(2-diethylaminoethylamino)-9-oxothioxanthen-4-yl]methyl 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [1-(2-diethylaminoethylamino)-9-keto-thioxanthen-4-yl]methyl ester Formula: C28H30N2O4S MolecularWeight: 490.6138

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=C2C(=C(C=C1)COC(=O)C3=CC=C(C=C3)OC)SC4=CC=CC=C4C2=O

Isomeric SMILES

CCN(CC)CCNC1=C2C(=C(C=C1)COC(=O)C3=CC=C(C=C3)OC)SC4=CC=CC=C4C2=O

InChI

InChI=1S/C28H30N2O4S/c1-4-30(5-2)17-16-29-23-15-12-20(18-34-28(32)19-10-13-21(33-3)14-11-19)27-25(23)26(31)22-8-6-7-9-24(22)35-27/h6-15,29H,4-5,16-18H2,1-3H3