(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl) (2S,3R)-3-[(3-ethynylindol-1-yl)methyl]oxirane-2-carboxylate

Systemtic Name: (4-methyl-2-sulfanylidene-1,3-thiazol-3-yl) (2S,3R)-3-[(3-ethynylindol-1-yl)methyl]oxirane-2-carboxylate Openeye Name: (4-methyl-2-thioxo-thiazol-3-yl) (2S,3R)-3-[(3-ethynylindol-1-yl)methyl]oxirane-2-carboxylate CAS Name: (2S,3R)-3-[(3-ethynyl-1-indolyl)methyl]-2-oxiranecarboxylic acid (4-methyl-2-sulfanylidene-3-thiazolyl) ester IUPAC Name: (4-methyl-2-sulfanylidene-1,3-thiazol-3-yl) (2S,3R)-3-[(3-ethynylindol-1-yl)methyl]oxirane-2-carboxylate Traditional Name: (2S,3R)-3-[(3-ethynylindol-1-yl)methyl]oxirane-2-carboxylic acid (4-methyl-2-thioxo-4-thiazolin-3-yl) ester Formula: C18H14N2O3S2 MolecularWeight: 370.44536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=S)N1OC(=O)C2C(O2)CN3C=C(C4=CC=CC=C43)C#C

Isomeric SMILES

CC1=CSC(=S)N1OC(=O)[C@@H]2[C@H](O2)CN3C=C(C4=CC=CC=C43)C#C

InChI

InChI=1S/C18H14N2O3S2/c1-3-12-8-19(14-7-5-4-6-13(12)14)9-15-16(22-15)17(21)23-20-11(2)10-25-18(20)24/h1,4-8,10,15-16H,9H2,2H3/t15-,16+/m1/s1