3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-5-[(2-prop-2-ynoxynaphthalen-1-yl)methylidene]-1,3-thiazolidine-2,4-dione

Systemtic Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-5-[(2-prop-2-ynoxynaphthalen-1-yl)methylidene]-1,3-thiazolidine-2,4-dione Openeye Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-5-[(2-prop-2-ynoxy-1-naphthyl)methylene]thiazolidine-2,4-dione CAS Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-[(2-prop-2-ynoxy-1-naphthalenyl)methylidene]thiazolidine-2,4-dione IUPAC Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-[(2-prop-2-ynoxynaphthalen-1-yl)methylidene]-1,3-thiazolidine-2,4-dione Traditional Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-5-[(2-propargyloxy-1-naphthyl)methylene]thiazolidine-2,4-quinone Formula: C28H22N2O4S MolecularWeight: 482.55028

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=C(C2=CC=CC=C2C=C1)C=C3C(=O)N(C(=O)S3)CC(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C#CCOC1=C(C2=CC=CC=C2C=C1)C=C3C(=O)N(C(=O)S3)CC(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C28H22N2O4S/c1-2-15-34-24-12-11-20-8-5-6-10-22(20)23(24)16-25-27(32)30(28(33)35-25)18-26(31)29-14-13-19-7-3-4-9-21(19)17-29/h1,3-12,16H,13-15,17-18H2